A0A075B6U6_HUMAN Loading...

T cell receptor alpha variable 8-7 (pseudogene)

AlphaFold DB , UniProt , Accession A0A075B6U6, Species HUMAN (Homo sapiens, Human), Gene TRAV8-7, Length 113 aa.

						>A0A075B6U6_HUMAN|A0A075B6U6|TRAV8-7
MLLVVILLLGMFFTLSKTQSVTQLDGHITVSEEAPLELKCNYSYSGVPSLFWYVQYSSQSLQLLLKDLTKATQVKGIRGFEAEFKKSETSFYLRKPSTHVSDAAEYFCAVGDR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	76.9	Confident	78.3	Confident	204 Å²	204	106.3 Å²	106.3	100%	1.005	58%	0.576	S	S	*	*				0	-48.8	0	-78.4	178.8	65.1	0	0	113.2	L3 V4 V5	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.38Å; M1-V4 PolarHBondContact O-N 2.92Å; M1-V4 VanDerWaalsContact O-N 3.11Å; M1-V5 PolarHBondContact O-N 3.23Å
2	L	84.2	Confident	76.9	Confident	132 Å²	132	111.3 Å²	111.3	69%	0.691	59%	0.589	S	S	*	*	H	α-helix	trans	-54.6	-39.7	-176.6	-171.9	64.8	0	0	0	114.7	V4 V5 I6	L2-V4 PolarHBondContact O-N 2.99Å; L2-V5 WeakPolarHBondContact O-CB 3.31Å; L2-V5 PolarHBondContact O-N 3.19Å; L2-I6 HydrophobicContact CG-CD1 4.2Å; L2-I6 WeakPolarHBondContact O-CG1 3.49Å; L2-I6 PolarHBondContact O-N 2.76Å
3	L	85	Confident	75.7	Confident	132 Å²	132	115.8 Å²	115.8	69%	0.691	60%	0.601	S	S	*	*	H	α-helix	trans	-63.2	-39.7	178.6	-150.9	107.3	0	0	0	112.7	M1 V5 I6 L7	M1-L3 VanDerWaalsContact C-N 3.33Å; M1-L3 PolarHBondContact O-N 3.38Å; L3-V5 VanDerWaalsContact C-N 3.33Å; L3-I6 PolarHBondContact O-N 2.97Å; L3-L7 HydrophobicContact CD2-CD1 4.35Å; L3-L7 VanDerWaalsContact O-CG 3.32Å; L3-L7 WeakPolarHBondContact O-CG 3.38Å; L3-L7 PolarHBondContact O-N 3.06Å
4	V	85.8	Confident	74.6	Confident	88 Å²	88	115.4 Å²	115.4	53%	0.533	61%	0.606	S	S	.	*	H	α-helix	trans	-66.3	-39.3	175.8	-178.3	0	0	0	0	109.9	M1 L2 L7 L8	M1-V4 PolarHBondContact O-N 2.92Å; M1-V4 VanDerWaalsContact O-N 3.11Å; L2-V4 PolarHBondContact O-N 2.99Å; V4-L7 PolarHBondContact O-N 2.8Å; V4-L8 HydrophobicContact CG1-CD1 3.96Å; V4-L8 HydrophobicContact CG1-CG 4.31Å; V4-L8 WeakPolarHBondContact O-CB 3.27Å; V4-L8 WeakPolarHBondContact O-CG 3.48Å; V4-L8 PolarHBondContact O-N 2.72Å
5	V	82.7	Confident	73.6	Confident	67 Å²	67	118.5 Å²	118.5	41%	0.406	62%	0.622	S	S	.	*	H	α-helix	trans	-64	-41.1	175.5	177.6	0	0	0	0	111.4	M1 L2 L3 L8 L9	M1-V5 PolarHBondContact O-N 3.23Å; L2-V5 WeakPolarHBondContact O-CB 3.31Å; L2-V5 PolarHBondContact O-N 3.19Å; L3-V5 VanDerWaalsContact C-N 3.33Å; V5-L8 PolarHBondContact O-N 3.17Å; V5-L9 HydrophobicContact CG1-CD1 3.6Å; V5-L9 WeakPolarHBondContact O-CB 3.38Å; V5-L9 WeakPolarHBondContact O-CD1 3.44Å; V5-L9 PolarHBondContact O-N 3.07Å
6	I	83	Confident	73	Confident	105 Å²	105	116.6 Å²	116.6	54%	0.538	62%	0.622	S	S	.	*	H	α-helix	trans	-64.9	-42.9	175.4	-66.1	165.5	0	0	0	111.3	L2 L3 L9 G10	L2-I6 HydrophobicContact CG-CD1 4.2Å; L2-I6 WeakPolarHBondContact O-CG1 3.49Å; L2-I6 PolarHBondContact O-N 2.76Å; L3-I6 PolarHBondContact O-N 2.97Å; I6-L9 PolarHBondContact O-N 2.86Å; I6-G10 PolarHBondContact O-N 3.13Å
7	L	80.6	Confident	72.6	Confident	111 Å²	111	119.1 Å²	119.1	58%	0.581	63%	0.626	S	S	*	*	H	α-helix	trans	-62.9	-42.4	175.5	-70	170.2	0	0	0	111.6	L3 V4 G10 M11	L3-L7 HydrophobicContact CD2-CD1 4.35Å; L3-L7 VanDerWaalsContact O-CG 3.32Å; L3-L7 WeakPolarHBondContact O-CG 3.38Å; L3-L7 PolarHBondContact O-N 3.06Å; V4-L7 PolarHBondContact O-N 2.8Å; L7-G10 PolarHBondContact O-N 3.1Å; L7-M11 WeakPolarHBondContact O-CG 3.48Å; L7-M11 PolarHBondContact O-N 3.02Å; L7-M11 VanDerWaalsContact O-N 3.15Å
8	L	75.7	Confident	72.8	Confident	80 Å²	80	117.9 Å²	117.9	42%	0.419	63%	0.625	S	S	.	*	H	α-helix	trans	-63	-46.8	174.3	-69.6	168.7	0	0	0	111.2	V4 V5 G10 M11 F12	V4-L8 HydrophobicContact CG1-CD1 3.96Å; V4-L8 HydrophobicContact CG1-CG 4.31Å; V4-L8 WeakPolarHBondContact O-CB 3.27Å; V4-L8 WeakPolarHBondContact O-CG 3.48Å; V4-L8 PolarHBondContact O-N 2.72Å; V5-L8 PolarHBondContact O-N 3.17Å; L8-G10 VanDerWaalsContact C-N 3.33Å; L8-G10 PolarHBondContact O-N 2.64Å; L8-M11 HydrophobicContact CD2-CE 3.62Å; L8-M11 HydrophobicContact CG-CE 4.4Å; L8-M11 PolarHBondContact O-N 3.15Å; L8-F12 HydrophobicContact CB-CE2 4.4Å; L8-F12 WeakPolarHBondContact O-CD2 3.23Å; L8-F12 WeakPolarHBondContact O-CE2 3.33Å; L8-F12 PolarHBondContact O-N 2.85Å
9	L	70.7	Confident	73.6	Confident	93 Å²	93	115.2 Å²	115.2	49%	0.487	61%	0.608	S	S	.	*	H	α-helix	trans	-58	-43.8	174.5	-99.1	93.9	0	0	0	111.9	V5 I6 M11 F12 F13	V5-L9 HydrophobicContact CG1-CD1 3.6Å; V5-L9 WeakPolarHBondContact O-CB 3.38Å; V5-L9 WeakPolarHBondContact O-CD1 3.44Å; V5-L9 PolarHBondContact O-N 3.07Å; I6-L9 PolarHBondContact O-N 2.86Å; L9-M11 VanDerWaalsContact C-N 3.27Å; L9-M11 PolarHBondContact O-N 2.94Å; L9-F12 PolarHBondContact O-N 3.28Å; L9-F13 WeakPolarHBondContact O-CD2 3.41Å; L9-F13 WeakPolarHBondContact O-CE2 3.46Å
10	G	69.6	Low	74.6	Confident	40 Å²	40	112 Å²	112	41%	0.412	60%	0.595	S	S	.	*	H	α-helix	trans	-58.8	-36.1	177	0	0	0	0	0	113.4	I6 L7 L8 F13	I6-G10 PolarHBondContact O-N 3.13Å; L7-G10 PolarHBondContact O-N 3.1Å; L8-G10 VanDerWaalsContact C-N 3.33Å; L8-G10 PolarHBondContact O-N 2.64Å; G10-F13 PolarHBondContact O-N 3.42Å
11	M	67.5	Low	75.6	Confident	117 Å²	117	109.2 Å²	109.2	58%	0.576	58%	0.583	S	S	*	*	H	α-helix	trans	-69.5	-35	177.7	-71.4	-171.8	-68.3	0	0	112.9	L7 L8 L9 F13 T14	L7-M11 WeakPolarHBondContact O-CG 3.48Å; L7-M11 PolarHBondContact O-N 3.02Å; L7-M11 VanDerWaalsContact O-N 3.15Å; L8-M11 HydrophobicContact CD2-CE 3.62Å; L8-M11 HydrophobicContact CG-CE 4.4Å; L8-M11 PolarHBondContact O-N 3.15Å; L9-M11 VanDerWaalsContact C-N 3.27Å; L9-M11 PolarHBondContact O-N 2.94Å; M11-F13 PolarHBondContact O-N 3.07Å; M11-T14 PolarHBondContact O-N 2.76Å; M11-T14 PolarHBondContact O-OG1 2.91Å
12	F	61.1	Low	76.4	Confident	167 Å²	167	103 Å²	103	73%	0.732	56%	0.557	S	S	*	*	H	α-helix	trans	-65.8	-21	179.2	-68.6	-70	0	0	0	113.8	L8 L9 T14	L8-F12 HydrophobicContact CB-CE2 4.4Å; L8-F12 WeakPolarHBondContact O-CD2 3.23Å; L8-F12 WeakPolarHBondContact O-CE2 3.33Å; L8-F12 PolarHBondContact O-N 2.85Å; L9-F12 PolarHBondContact O-N 3.28Å; F12-T14 VanDerWaalsContact C-N 3.3Å; F12-T14 PolarHBondContact O-N 2.79Å
13	F	61.1	Low	77	Confident	169 Å²	169	100.5 Å²	100.5	74%	0.741	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-3.7	178.8	-69.6	-71.7	0	0	0	114.6	L9 G10 M11	L9-F13 WeakPolarHBondContact O-CD2 3.41Å; L9-F13 WeakPolarHBondContact O-CE2 3.46Å; G10-F13 PolarHBondContact O-N 3.42Å; M11-F13 PolarHBondContact O-N 3.07Å
14	T	60.4	Low	77.2	Confident	110 Å²	110	98.6 Å²	98.6	68%	0.675	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0.8	-172.5	61.8	0	0	0	0	115.4	M11 F12 S16	M11-T14 PolarHBondContact O-N 2.76Å; M11-T14 PolarHBondContact O-OG1 2.91Å; F12-T14 VanDerWaalsContact C-N 3.3Å; F12-T14 PolarHBondContact O-N 2.79Å; T14-S16 PolarHBondContact O-N 2.88Å
15	L	60.1	Low	77.2	Confident	162 Å²	162	96.4 Å²	96.4	85%	0.848	52%	0.517	S	S	*	.			trans	-79.2	71.7	172.2	-162.3	67.5	0	0	0	110.2	K17	L15-K17 PolarHBondContact O-N 2.72Å
16	S	64.1	Low	77.5	Confident	88 Å²	88	96.7 Å²	96.7	62%	0.615	53%	0.533	S	S	*	.			trans	-63.6	125.5	166.1	56.3	0	0	0	0	108.1	T14 T18	T14-S16 PolarHBondContact O-N 2.88Å; S16-T18 VanDerWaalsContact C-N 3.28Å; S16-T18 PolarHBondContact O-N 2.82Å
17	K	66.1	Low	78	Confident	160 Å²	160	100 Å²	100	70%	0.696	55%	0.546	S	S	*	.			trans	-69.4	93	167	-73.9	176.5	-179.3	159.7	0	106.8	L15 Q19	L15-K17 PolarHBondContact O-N 2.72Å; K17-Q19 PolarHBondContact O-N 2.69Å
18	T	75.8	Confident	78.6	Confident	97 Å²	97	97.8 Å²	97.8	60%	0.595	53%	0.534	S	S	*	.			trans	-69.5	123.5	176.5	-51.7	0	0	0	0	108.9	S16	S16-T18 VanDerWaalsContact C-N 3.28Å; S16-T18 PolarHBondContact O-N 2.82Å
19	Q	87.8	Confident	79.6	Confident	66 Å²	66	100 Å²	100	31%	0.308	55%	0.551	S	S	.	*			trans	-115.1	139.6	169.8	-58	174.8	10.9	0	0	107.5	K17 S43 Y44 V110 D112	K17-Q19 PolarHBondContact O-N 2.69Å; Q19-S43 VanDerWaalsContact CA-O 3.29Å; Q19-S43 WeakPolarHBondContact CA-O 3.39Å; Q19-Y44 HydrophobicContact CB-CD2 4.18Å; Q19-Y44 HydrophobicContact CG-CD2 3.54Å; Q19-Y44 HydrophobicContact CG-CE2 3.84Å; Q19-Y44 HydrophobicContact CG-CG 4.46Å; Q19-Y44 VanDerWaalsContact OE1-CE2 3.29Å; Q19-V110 HydrophobicContact CB-CG1 4.33Å; Q19-D112 PolarHBondContact NE2-OD1 2.74Å
20	S	93.6	Very high	80.8	Confident	51 Å²	51	98.4 Å²	98.4	36%	0.357	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	157.1	179.3	62.5	0	0	0	0	111.3	Y42 S43	S20-Y42 CarbonylContact O-C 3.56Å; S20-Y42 WeakPolarHBondContact O-CA 3.2Å; S20-S43 PolarHBondContact N-O 2.91Å; S20-S43 VanDerWaalsContact N-O 3.07Å; S20-S43 PolarHBondContact O-N 2.97Å; S20-S43 WeakPolarHBondContact OG-CB 3.34Å
21	V	95.2	Very high	82.1	Confident	55 Å²	55	100.8 Å²	100.8	33%	0.333	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	151.9	165.4	-68.2	0	0	0	0	109.3	N41 V110	V21-N41 CarbonylContact C-O 3.57Å; V21-N41 VanDerWaalsContact CA-O 3.27Å; V21-N41 WeakPolarHBondContact CA-O 3.29Å; V21-V110 HydrophobicContact CG1-CB 3.85Å; V21-V110 HydrophobicContact CG1-CG1 3.71Å
22	T	95.5	Very high	83.5	Confident	74 Å²	74	101 Å²	101	45%	0.454	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.1	112.8	175.9	-56.2	0	0	0	0	108.6	L24 C40 N41	T22-L24 HydrophobicContact CG2-CD2 4.06Å; T22-C40 WeakPolarHBondContact O-CA 3.31Å; T22-N41 PolarHBondContact N-O 3.2Å; T22-N41 PolarHBondContact O-N 2.91Å
23	Q	95.8	Very high	85.2	Confident	78 Å²	78	100.1 Å²	100.1	36%	0.364	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.7	115.5	171.5	-72.7	-179.9	-142.5	0	0	108.5	K39 Y106 C108	Q23-K39 WeakPolarHBondContact CA-O 3.39Å; Q23-Y106 PolarHBondContact NE2-O 2.79Å; Q23-C108 VanDerWaalsContact CG-SG 3.5Å
24	L	89.1	Confident	87	Confident	93 Å²	93	93.5 Å²	93.5	49%	0.487	53%	0.529	S	S	.	.			trans	-80.6	-26.1	-176.6	-59.3	175.1	0	0	0	111.6	T22 K39	T22-L24 HydrophobicContact CG2-CD2 4.06Å; L24-K39 HydrophobicContact CB-CB 4.08Å; L24-K39 HydrophobicContact CD1-CB 4.04Å; L24-K39 HydrophobicContact CD1-CD 4.22Å; L24-K39 HydrophobicContact CG-CB 4.34Å; L24-K39 PolarHBondContact N-O 3.17Å
25	D	86.5	Confident	88.8	Confident	42 Å²	42	93 Å²	93	23%	0.225	53%	0.528	C	S	.	.			trans	-94.6	121.7	179.4	-53.8	-52.8	0	0	0	109.2	I28 L38 K39	D25-I28 HydrophobicContact CB-CG2 3.82Å; D25-L38 HydrophobicContact CB-CD2 4.06Å; D25-L38 WeakPolarHBondContact OD2-CA 3.24Å; D25-K39 WeakPolarHBondContact OD2-CB 3.2Å; D25-K39 WeakPolarHBondContact OD2-CG 3.32Å; D25-K39 PolarHBondContact OD2-N 2.98Å
26	G	88.6	Confident	90.5	Very high	73 Å²	73	86.1 Å²	86.1	75%	0.753	49%	0.492	S	S	*	.			trans	-86	-109.4	172.7	0	0	0	0	0	110.4
27	H	93.4	Very high	92	Very high	173 Å²	173	85.4 Å²	85.4	80%	0.801	48%	0.479	S	S	*	.	S	Bend	trans	-84.5	122.4	171.2	-178.5	-86.5	0	0	0	110.4	T29	H27-T29 PolarHBondContact CE1-OG1 2.94Å
28	I	93.6	Very high	93.4	Very high	66 Å²	66	78.3 Å²	78.3	34%	0.338	45%	0.449	S	S	.	.			trans	-115.8	150.5	177.3	56	147.9	0	0	0	110.9	D25 L36 L38	D25-I28 HydrophobicContact CB-CG2 3.82Å; I28-L36 HydrophobicContact CD1-CD1 3.12Å; I28-L36 HydrophobicContact CD1-CG 4.47Å; I28-L38 HydrophobicContact CD1-CD2 3.43Å; I28-L38 VanDerWaalsContact CD1-CD2 3.43Å; I28-L38 HydrophobicContact CD1-CG 4.23Å; I28-L38 HydrophobicContact CG1-CD2 3.99Å; I28-L38 HydrophobicContact CG2-CD2 4.42Å
29	T	95.7	Very high	94.4	Very high	127 Å²	127	77.3 Å²	77.3	78%	0.779	44%	0.436	S	S	*	.			trans	-131.3	131	173.7	-53.3	0	0	0	0	108.3	H27	H27-T29 PolarHBondContact CE1-OG1 2.94Å
30	V	95.9	Very high	94.7	Very high	59 Å²	59	74.2 Å²	74.2	36%	0.358	42%	0.422	S	S	.	.			trans	-133.9	143.4	-176.8	63.3	0	0	0	0	108.6	A34 T98	V30-A34 HydrophobicContact CG2-CB 3.76Å; V30-T98 HydrophobicContact CG1-CG2 4.1Å
31	S	97	Very high	94.8	Very high	90 Å²	90	74 Å²	74	63%	0.629	42%	0.417	S	S	*	.			trans	-71.9	152.7	174.7	-61.1	0	0	0	0	110.6	A34 T98	S31-A34 VanDerWaalsContact O-CB 3.31Å; S31-A34 WeakPolarHBondContact O-CB 3.07Å; S31-A34 PolarHBondContact O-N 2.86Å; S31-T98 PolarHBondContact O-OG1 2.81Å; S31-T98 VanDerWaalsContact O-OG1 3.06Å
32	E	97.1	Very high	94.7	Very high	121 Å²	121	72.1 Å²	72.1	57%	0.565	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	146.4	170.4	-165	165.6	-148.6	0	0	110.5	A34	E32-A34 PolarHBondContact O-N 3.25Å
33	E	97.6	Very high	94.5	Very high	149 Å²	149	71.7 Å²	71.7	70%	0.696	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-10.1	-174.9	-52.3	-178.6	164.4	0	0	116.3	S97 T98	E33-S97 WeakPolarHBondContact CA-OG 2.95Å; E33-S97 PolarHBondContact O-OG 3.37Å; E33-T98 WeakPolarHBondContact CA-O 3.43Å; E33-T98 PolarHBondContact N-O 3.03Å
34	A	98	Very high	94.3	Very high	29 Å²	29	70 Å²	70	24%	0.24	39%	0.394	C	S	.	.	S	Bend	trans	-73	155.8	178.3	0	0	0	0	0	112.2	V30 S31 E32 T98	V30-A34 HydrophobicContact CG2-CB 3.76Å; S31-A34 VanDerWaalsContact O-CB 3.31Å; S31-A34 WeakPolarHBondContact O-CB 3.07Å; S31-A34 PolarHBondContact O-N 2.86Å; E32-A34 PolarHBondContact O-N 3.25Å; A34-T98 PolarHBondContact O-N 3.17Å; A34-T98 PolarHBondContact O-OG1 2.69Å
35	P	97.5	Very high	94.1	Very high	100 Å²	100	69.6 Å²	69.6	65%	0.649	40%	0.399	S	S	*	.			trans	-73.1	142.5	174.5	29.5	-34.6	0	0	0	111.3	K95 P96	P35-K95 WeakPolarHBondContact CA-O 3.49Å; P35-P96 WeakPolarHBondContact CA-O 3.46Å
36	L	95.7	Very high	94.1	Very high	18 Å²	18	69.8 Å²	69.8	9%	0.094	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	137.4	174.8	166	65.9	0	0	0	110.3	I28 L38 F80 R94 K95 T98	I28-L36 HydrophobicContact CD1-CD1 3.12Å; I28-L36 HydrophobicContact CD1-CG 4.47Å; L36-L38 HydrophobicContact CD1-CD2 4.35Å; L36-L38 HydrophobicContact CD1-CG 4.1Å; L36-L38 HydrophobicContact CG-CG 4.49Å; L36-F80 HydrophobicContact CD2-CE1 4.16Å; L36-R94 CarbonylContact O-C 3.56Å; L36-R94 VanDerWaalsContact O-CA 3.24Å; L36-R94 WeakPolarHBondContact O-CA 3.37Å; L36-K95 HydrophobicContact CB-CB 4.31Å; L36-K95 PolarHBondContact N-O 3.43Å; L36-K95 PolarHBondContact O-N 3.15Å; L36-T98 HydrophobicContact CB-CG2 3.35Å; L36-T98 HydrophobicContact CD2-CG2 3.93Å; L36-T98 HydrophobicContact CG-CG2 4.26Å
37	E	95.8	Very high	94	Very high	72 Å²	72	69.4 Å²	69.4	34%	0.336	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.6	167.1	-174.4	176.6	81.2	0	0	109.4	Y92 L93 R94	E37-Y92 HydrophobicContact CG-CD2 4.48Å; E37-L93 CarbonylContact C-O 3.51Å; E37-L93 VanDerWaalsContact CA-O 3.31Å; E37-L93 WeakPolarHBondContact CA-O 3.23Å; E37-R94 HydrophobicContact CB-CG 4.32Å; E37-R94 HydrophobicContact CG-CG 4.05Å; E37-R94 IonicContact OE2-CZ 2.69Å; E37-R94 VanDerWaalsContact OE2-CZ 3.23Å; E37-R94 IonicContact OE2-NE 3.51Å; E37-R94 PolarHBondContact OE2-NE 3.29Å; E37-R94 IonicContact OE2-NH2 3.17Å; E37-R94 PolarHBondContact OE2-NH2 3.45Å
38	L	96.5	Very high	93.8	Very high	12 Å²	12	61.6 Å²	61.6	6%	0.063	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	126.8	173.5	-71	174.5	0	0	0	109.6	D25 I28 L36 W52 Y92 L93 Y106	D25-L38 HydrophobicContact CB-CD2 4.06Å; D25-L38 WeakPolarHBondContact OD2-CA 3.24Å; I28-L38 HydrophobicContact CD1-CD2 3.43Å; I28-L38 VanDerWaalsContact CD1-CD2 3.43Å; I28-L38 HydrophobicContact CD1-CG 4.23Å; I28-L38 HydrophobicContact CG1-CD2 3.99Å; I28-L38 HydrophobicContact CG2-CD2 4.42Å; L36-L38 HydrophobicContact CD1-CD2 4.35Å; L36-L38 HydrophobicContact CD1-CG 4.1Å; L36-L38 HydrophobicContact CG-CG 4.49Å; L38-W52 HydrophobicContact CB-CH2 3.87Å; L38-W52 HydrophobicContact CB-CZ2 4.39Å; L38-W52 HydrophobicContact CB-CZ3 4.45Å; L38-Y92 CarbonylContact O-C 3.59Å; L38-Y92 VanDerWaalsContact O-CA 3.31Å; L38-Y92 WeakPolarHBondContact O-CA 3.3Å; L38-L93 HydrophobicContact CB-CB 4.25Å; L38-L93 HydrophobicContact CD1-CD2 4.15Å; L38-L93 PolarHBondContact N-O 3.35Å; L38-L93 PolarHBondContact O-N 2.73Å; L38-Y106 HydrophobicContact CD1-CD1 4.23Å; L38-Y106 HydrophobicContact CD1-CD2 3.76Å; L38-Y106 HydrophobicContact CD1-CG 3.6Å
39	K	95.7	Very high	93.8	Very high	75 Å²	75	58.5 Å²	58.5	33%	0.326	34%	0.343	S	S	.	.			trans	-96.6	126.3	-171.9	-62.7	174.9	-175.2	169.1	0	111.3	Q23 L24 D25 Y92	Q23-K39 WeakPolarHBondContact CA-O 3.39Å; L24-K39 HydrophobicContact CB-CB 4.08Å; L24-K39 HydrophobicContact CD1-CB 4.04Å; L24-K39 HydrophobicContact CD1-CD 4.22Å; L24-K39 HydrophobicContact CG-CB 4.34Å; L24-K39 PolarHBondContact N-O 3.17Å; D25-K39 WeakPolarHBondContact OD2-CB 3.2Å; D25-K39 WeakPolarHBondContact OD2-CG 3.32Å; D25-K39 PolarHBondContact OD2-N 2.98Å; K39-Y92 HydrophobicContact CB-CD1 3.97Å; K39-Y92 HydrophobicContact CB-CE1 3.67Å; K39-Y92 HydrophobicContact CB-CE2 4.5Å; K39-Y92 HydrophobicContact CB-CG 4.47Å; K39-Y92 HydrophobicContact CD-CE2 4.35Å; K39-Y92 HydrophobicContact CG-CD1 4.19Å; K39-Y92 HydrophobicContact CG-CD2 4.05Å; K39-Y92 HydrophobicContact CG-CE1 3.98Å; K39-Y92 HydrophobicContact CG-CE2 3.89Å; K39-Y92 HydrophobicContact CG-CG 4.22Å
40	C	95.4	Very high	93.8	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.014	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	124.3	170.8	179.6	0	0	0	0	110	T22 W52 S90 F91 C108	T22-C40 WeakPolarHBondContact O-CA 3.31Å; C40-W52 HydrophobicContact CB-CH2 4Å; C40-W52 HydrophobicContact CB-CZ2 3.44Å; C40-W52 VanDerWaalsContact CB-CZ2 3.44Å; C40-S90 WeakPolarHBondContact O-CA 3.44Å; C40-F91 PolarHBondContact O-N 2.67Å; C40-C108 HydrophobicContact CB-CB 3.47Å; C40-C108 VanDerWaalsContact CB-CB 3.47Å; C40-C108 WeakPolarHBondContact CB-SG 3.47Å; C40-C108 WeakPolarHBondContact SG-CB 3.2Å; C40-C108 CovalentContact SG-SG 2.03Å; C40-C108 PolarHBondContact SG-SG 3.32Å
41	N	95.3	Very high	93.8	Very high	46 Å²	46	51.6 Å²	51.6	25%	0.246	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	151.4	167.4	-66.8	-14.1	0	0	0	109	V21 T22 T89 S90 Y92	V21-N41 CarbonylContact C-O 3.57Å; V21-N41 VanDerWaalsContact CA-O 3.27Å; V21-N41 WeakPolarHBondContact CA-O 3.29Å; T22-N41 PolarHBondContact N-O 3.2Å; T22-N41 PolarHBondContact O-N 2.91Å; N41-T89 CarbonylContact C-O 3.58Å; N41-T89 WeakPolarHBondContact CA-O 3.37Å; N41-S90 WeakPolarHBondContact OD1-CB 3.42Å; N41-Y92 PolarHBondContact OD1-OH 3.21Å
42	Y	93.1	Very high	93.8	Very high	16 Å²	16	47.4 Å²	47.4	6%	0.063	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	151.5	177.8	69.4	-92.2	0	0	0	111.4	S20 P48 L50 F84 T89 V110	S20-Y42 CarbonylContact O-C 3.56Å; S20-Y42 WeakPolarHBondContact O-CA 3.2Å; Y42-P48 HydrophobicContact CD2-CB 4.45Å; Y42-P48 HydrophobicContact CD2-CG 4.46Å; Y42-P48 HydrophobicContact CE2-CB 4.13Å; Y42-P48 HydrophobicContact CE2-CG 3.69Å; Y42-L50 HydrophobicContact CD1-CD1 4.34Å; Y42-L50 HydrophobicContact CD1-CD2 3.55Å; Y42-L50 HydrophobicContact CD2-CD2 4.41Å; Y42-L50 HydrophobicContact CE1-CD1 3.85Å; Y42-L50 HydrophobicContact CE1-CD2 3.88Å; Y42-L50 HydrophobicContact CE1-CG 4.49Å; Y42-L50 HydrophobicContact CG-CD2 3.86Å; Y42-F84 HydrophobicContact CE1-CE2 4.14Å; Y42-F84 AromaticContact CZ-CE2 3.97Å; Y42-F84 WeakPolarHBondContact OH-CE2 3.47Å; Y42-T89 VanDerWaalsContact CD1-O 3.25Å; Y42-T89 WeakPolarHBondContact CD1-O 3.19Å; Y42-T89 VanDerWaalsContact CE1-C 3.41Å; Y42-T89 PolarHBondContact N-O 2.97Å; Y42-T89 VanDerWaalsContact O-CB 3.29Å; Y42-T89 WeakPolarHBondContact O-CB 3.29Å; Y42-V110 HydrophobicContact CD2-CG2 4.14Å; Y42-V110 HydrophobicContact CG-CG2 4.35Å
43	S	92.1	Very high	93.8	Very high	65 Å²	65	44.7 Å²	44.7	46%	0.455	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.2	167.8	-173.7	0	0	0	0	108.6	Q19 S20	Q19-S43 VanDerWaalsContact CA-O 3.29Å; Q19-S43 WeakPolarHBondContact CA-O 3.39Å; S20-S43 PolarHBondContact N-O 2.91Å; S20-S43 VanDerWaalsContact N-O 3.07Å; S20-S43 PolarHBondContact O-N 2.97Å; S20-S43 WeakPolarHBondContact OG-CB 3.34Å
44	Y	90	Very high	93.8	Very high	42 Å²	42	37.6 Å²	37.6	17%	0.165	22%	0.22	C	C	.	.			trans	-156.7	128	-176.6	-170	-84.5	0	0	0	111.6	Q19 G46 P48 V110 D112	Q19-Y44 HydrophobicContact CB-CD2 4.18Å; Q19-Y44 HydrophobicContact CG-CD2 3.54Å; Q19-Y44 HydrophobicContact CG-CE2 3.84Å; Q19-Y44 HydrophobicContact CG-CG 4.46Å; Q19-Y44 VanDerWaalsContact OE1-CE2 3.29Å; Y44-G46 VanDerWaalsContact C-N 3.27Å; Y44-G46 VanDerWaalsContact CE1-C 3.47Å; Y44-G46 PolarHBondContact O-N 3.34Å; Y44-G46 VanDerWaalsContact O-N 3.14Å; Y44-P48 HydrophobicContact CD1-CB 3.76Å; Y44-P48 HydrophobicContact CD1-CG 4.36Å; Y44-P48 HydrophobicContact CD2-CB 4.25Å; Y44-P48 HydrophobicContact CE1-CB 4.33Å; Y44-P48 HydrophobicContact CG-CB 3.76Å; Y44-V110 HydrophobicContact CD2-CG2 3.73Å; Y44-V110 HydrophobicContact CG-CG2 4.14Å; Y44-D112 WeakPolarHBondContact CE2-OD1 3.48Å; Y44-D112 VanDerWaalsContact OH-CA 3.25Å; Y44-D112 WeakPolarHBondContact OH-CA 3.4Å; Y44-D112 PolarHBondContact OH-OD1 2.94Å
45	S	86.4	Confident	93.8	Very high	84 Å²	84	39.4 Å²	39.4	59%	0.587	22%	0.224	S	C	*	.	S	Bend	trans	-84.8	27.2	-171.4	70	0	0	0	0	115
46	G	85.5	Confident	93.7	Very high	47 Å²	47	36 Å²	36	49%	0.485	20%	0.198	S	C	.	.	S	Bend	trans	-168.6	-139	-171.3	0	0	0	0	0	114.1	Y44 P48	Y44-G46 VanDerWaalsContact C-N 3.27Å; Y44-G46 VanDerWaalsContact CE1-C 3.47Å; Y44-G46 PolarHBondContact O-N 3.34Å; Y44-G46 VanDerWaalsContact O-N 3.14Å; G46-P48 VanDerWaalsContact O-CD 3.23Å; G46-P48 WeakPolarHBondContact O-CD 3.31Å
47	V	86.1	Confident	93.6	Very high	65 Å²	65	40.4 Å²	40.4	39%	0.394	23%	0.23	S	C	.	.			trans	-100.3	96.1	178.6	-168.7	0	0	0	0	109.2	R113	V47-R113 PolarHBondContact O-NH1 3.18Å
48	P	90.4	Very high	93.3	Very high	8 Å²	8	43 Å²	43	5%	0.052	26%	0.256	C	S	.	.			trans	-78.2	134.3	-170.7	30.4	-35.8	0	0	0	112.7	Y42 Y44 G46 L50 V110 R113	Y42-P48 HydrophobicContact CD2-CB 4.45Å; Y42-P48 HydrophobicContact CD2-CG 4.46Å; Y42-P48 HydrophobicContact CE2-CB 4.13Å; Y42-P48 HydrophobicContact CE2-CG 3.69Å; Y44-P48 HydrophobicContact CD1-CB 3.76Å; Y44-P48 HydrophobicContact CD1-CG 4.36Å; Y44-P48 HydrophobicContact CD2-CB 4.25Å; Y44-P48 HydrophobicContact CE1-CB 4.33Å; Y44-P48 HydrophobicContact CG-CB 3.76Å; G46-P48 VanDerWaalsContact O-CD 3.23Å; G46-P48 WeakPolarHBondContact O-CD 3.31Å; P48-L50 HydrophobicContact CB-CD2 4.45Å; P48-L50 HydrophobicContact CB-CG 4.39Å; P48-V110 HydrophobicContact CB-CG2 3.54Å; P48-R113 PolarHBondContact O-NH1 3.18Å
49	S	92.9	Very high	93.2	Very high	2 Å²	2	47 Å²	47	1%	0.014	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	127.5	159.2	-60.1	0	0	0	0	108.1	F51 L68 V110 G111 D112 R113	S49-F51 VanDerWaalsContact CB-CE2 3.44Å; S49-F51 WeakPolarHBondContact O-CE2 3.42Å; S49-L68 WeakPolarHBondContact OG-CD2 3.35Å; S49-V110 WeakPolarHBondContact O-CA 3.47Å; S49-G111 WeakPolarHBondContact CB-O 3.18Å; S49-G111 PolarHBondContact N-O 2.87Å; S49-G111 PolarHBondContact O-N 2.85Å; S49-D112 WeakPolarHBondContact CB-O 3.43Å; S49-D112 PolarHBondContact OG-O 2.91Å; S49-R113 WeakPolarHBondContact OG-CA 3.33Å; S49-R113 WeakPolarHBondContact OG-CG 3.25Å
50	L	95.1	Very high	93.3	Very high	3 Å²	3	47.8 Å²	47.8	2%	0.016	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.1	-176.5	-67	165	0	0	0	110.6	Y42 P48 K66 D67 F84 F91 V110	Y42-L50 HydrophobicContact CD1-CD1 4.34Å; Y42-L50 HydrophobicContact CD1-CD2 3.55Å; Y42-L50 HydrophobicContact CD2-CD2 4.41Å; Y42-L50 HydrophobicContact CE1-CD1 3.85Å; Y42-L50 HydrophobicContact CE1-CD2 3.88Å; Y42-L50 HydrophobicContact CE1-CG 4.49Å; Y42-L50 HydrophobicContact CG-CD2 3.86Å; P48-L50 HydrophobicContact CB-CD2 4.45Å; P48-L50 HydrophobicContact CB-CG 4.39Å; L50-K66 CarbonylContact O-C 3.57Å; L50-K66 WeakPolarHBondContact O-CA 3.01Å; L50-D67 HydrophobicContact CB-CB 4.43Å; L50-D67 PolarHBondContact N-O 2.84Å; L50-D67 VanDerWaalsContact N-O 3.1Å; L50-D67 PolarHBondContact O-N 3.08Å; L50-F84 HydrophobicContact CD1-CD2 3.31Å; L50-F84 HydrophobicContact CD1-CE2 3.44Å; L50-F84 VanDerWaalsContact CD1-CE2 3.44Å; L50-F91 HydrophobicContact CB-CD1 3.59Å; L50-F91 HydrophobicContact CB-CD2 4.31Å; L50-F91 HydrophobicContact CB-CE1 3.61Å; L50-F91 HydrophobicContact CB-CE2 4.35Å; L50-F91 HydrophobicContact CB-CG 3.94Å; L50-F91 HydrophobicContact CB-CZ 4Å; L50-F91 HydrophobicContact CD1-CB 3.94Å; L50-F91 HydrophobicContact CD1-CD1 4.33Å; L50-F91 HydrophobicContact CD1-CD2 3.85Å; L50-F91 HydrophobicContact CD1-CE2 4.39Å; L50-F91 HydrophobicContact CD1-CG 3.8Å; L50-F91 HydrophobicContact CD2-CB 4.35Å; L50-F91 HydrophobicContact CG-CD1 4.39Å; L50-F91 HydrophobicContact CG-CG 4.33Å; L50-V110 HydrophobicContact CD2-CB 4.16Å; L50-V110 HydrophobicContact CD2-CG2 3.84Å
51	F	96.3	Very high	93.3	Very high	38 Å²	38	51.7 Å²	51.7	17%	0.167	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146.3	-173.3	-51.4	-94.3	0	0	0	110.6	S49 Y53 L63 K66 L68 C108 A109	S49-F51 VanDerWaalsContact CB-CE2 3.44Å; S49-F51 WeakPolarHBondContact O-CE2 3.42Å; F51-Y53 HydrophobicContact CB-CD2 4.18Å; F51-Y53 HydrophobicContact CB-CE2 3.52Å; F51-Y53 HydrophobicContact CG-CE2 4.23Å; F51-L63 HydrophobicContact CB-CD1 4.4Å; F51-L63 HydrophobicContact CD1-CD1 4.06Å; F51-K66 HydrophobicContact CD1-CB 3.54Å; F51-K66 HydrophobicContact CE1-CB 3.82Å; F51-K66 HydrophobicContact CE1-CD 4.18Å; F51-K66 HydrophobicContact CG-CB 4.45Å; F51-L68 HydrophobicContact CZ-CD2 4.32Å; F51-C108 WeakPolarHBondContact O-CA 3.39Å; F51-A109 HydrophobicContact CB-CB 4.29Å; F51-A109 HydrophobicContact CD2-CB 4.46Å; F51-A109 PolarHBondContact N-O 2.92Å; F51-A109 PolarHBondContact O-N 2.77Å
52	W	97.6	Very high	93.4	Very high	1 Å²	1	52 Å²	52	0%	0.004	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.9	160.9	-83.9	99.2	0	0	0	109.3	L38 C40 L64 L65 F91 L93 F107 C108	L38-W52 HydrophobicContact CB-CH2 3.87Å; L38-W52 HydrophobicContact CB-CZ2 4.39Å; L38-W52 HydrophobicContact CB-CZ3 4.45Å; C40-W52 HydrophobicContact CB-CH2 4Å; C40-W52 HydrophobicContact CB-CZ2 3.44Å; C40-W52 VanDerWaalsContact CB-CZ2 3.44Å; W52-L64 HydrophobicContact CB-CB 4.35Å; W52-L64 HydrophobicContact CB-CD2 4.42Å; W52-L64 WeakPolarHBondContact O-CA 3.21Å; W52-L64 VanDerWaalsContact O-CB 3.3Å; W52-L64 WeakPolarHBondContact O-CB 3.27Å; W52-L64 PolarHBondContact O-N 2.03Å; W52-L65 HydrophobicContact CB-CD1 4.14Å; W52-L65 HydrophobicContact CB-CG 4.14Å; W52-L65 HydrophobicContact CG-CD1 4.46Å; W52-L65 PolarHBondContact N-O 2.95Å; W52-L65 PolarHBondContact O-N 2.79Å; W52-F91 AromaticContact CD1-CD1 3.46Å; W52-F91 VanDerWaalsContact CD1-CD1 3.46Å; W52-F91 AromaticContact CD1-CE1 3.46Å; W52-F91 VanDerWaalsContact CD1-CE1 3.46Å; W52-F91 AromaticContact NE1-CD1 3.48Å; W52-F91 AromaticContact NE1-CE1 3.98Å; W52-F91 PolarHBondContact NE1-O 2.76Å; W52-L93 HydrophobicContact CB-CD1 4.21Å; W52-L93 HydrophobicContact CB-CD2 4.41Å; W52-L93 HydrophobicContact CD2-CB 3.74Å; W52-L93 HydrophobicContact CD2-CD1 4.48Å; W52-L93 HydrophobicContact CD2-CD2 3.86Å; W52-L93 HydrophobicContact CD2-CG 4.25Å; W52-L93 VanDerWaalsContact CE2-CB 3.45Å; W52-L93 HydrophobicContact CE3-CB 4.31Å; W52-L93 HydrophobicContact CE3-CD2 3.8Å; W52-L93 HydrophobicContact CG-CB 4.04Å; W52-L93 HydrophobicContact CG-CD1 4.03Å; W52-L93 HydrophobicContact CG-CD2 4.14Å; W52-L93 HydrophobicContact CG-CG 4.32Å; W52-L93 HydrophobicContact CH2-CB 4.32Å; W52-L93 HydrophobicContact CZ2-CB 3.75Å; W52-L93 HydrophobicContact CZ3-CD2 4.31Å; W52-F107 CarbonylContact C-O 3.47Å; W52-F107 WeakPolarHBondContact CA-O 3.41Å; W52-F107 VanDerWaalsContact CE3-C 3.48Å; W52-C108 HydrophobicContact CD2-CB 3.84Å; W52-C108 HydrophobicContact CE3-CB 3.93Å; W52-C108 HydrophobicContact CH2-CB 3.82Å; W52-C108 HydrophobicContact CZ2-CB 3.71Å; W52-C108 HydrophobicContact CZ3-CB 3.91Å
53	Y	97.7	Very high	93.6	Very high	64 Å²	64	54.7 Å²	54.7	25%	0.251	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	156.2	174.3	-62.9	-93.2	0	0	0	109.8	F51 L61 Q62 L63 Y106 F107 A109	F51-Y53 HydrophobicContact CB-CD2 4.18Å; F51-Y53 HydrophobicContact CB-CE2 3.52Å; F51-Y53 HydrophobicContact CG-CE2 4.23Å; Y53-L61 HydrophobicContact CD1-CD2 3.92Å; Y53-L61 HydrophobicContact CD1-CG 3.9Å; Y53-L61 HydrophobicContact CG-CD1 4.42Å; Y53-L61 HydrophobicContact CG-CD2 3.97Å; Y53-L61 HydrophobicContact CG-CG 4.06Å; Y53-Q62 CarbonylContact C-O 3.47Å; Y53-Q62 WeakPolarHBondContact CA-O 3.48Å; Y53-L63 HydrophobicContact CD1-CB 4.24Å; Y53-L63 HydrophobicContact CD1-CD1 4.13Å; Y53-L63 HydrophobicContact CE1-CB 4.07Å; Y53-L63 HydrophobicContact CE1-CD1 3.7Å; Y53-L63 HydrophobicContact CE2-CD1 4.37Å; Y53-Y106 WeakPolarHBondContact O-CA 3.04Å; Y53-F107 PolarHBondContact N-O 3.15Å; Y53-F107 PolarHBondContact O-N 3.24Å; Y53-A109 HydrophobicContact CE2-CB 4.22Å
54	V	97.5	Very high	93.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.3	172.2	61.8	0	0	0	0	110.1	Y56 Q62 L64 A104 E105 Y106	V54-Y56 HydrophobicContact CG1-CE2 3.87Å; V54-Y56 HydrophobicContact CG2-CD2 4.41Å; V54-Y56 HydrophobicContact CG2-CE1 4.28Å; V54-Y56 HydrophobicContact CG2-CE2 3.96Å; V54-Q62 HydrophobicContact CG1-CB 4.26Å; V54-Q62 PolarHBondContact N-O 2.89Å; V54-Q62 PolarHBondContact O-N 3.3Å; V54-L64 HydrophobicContact CG1-CB 4.43Å; V54-L64 HydrophobicContact CG1-CD1 3.97Å; V54-A104 HydrophobicContact CG2-CB 3.42Å; V54-A104 VanDerWaalsContact CG2-CB 3.42Å; V54-E105 CarbonylContact C-O 3.53Å; V54-E105 VanDerWaalsContact CA-O 3.32Å; V54-E105 WeakPolarHBondContact CA-O 3.17Å; V54-Y106 HydrophobicContact CB-CD1 3.87Å; V54-Y106 HydrophobicContact CB-CE1 3.79Å; V54-Y106 HydrophobicContact CG2-CD1 3.87Å; V54-Y106 HydrophobicContact CG2-CE1 3.49Å; V54-Y106 VanDerWaalsContact CG2-CE1 3.49Å; V54-Y106 HydrophobicContact CG2-CE2 4.32Å; V54-Y106 HydrophobicContact CG2-CG 4.43Å
55	Q	97.3	Very high	94.2	Very high	68 Å²	68	50.1 Å²	50.1	32%	0.318	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	109.1	174.8	-171.1	171.6	14.6	0	0	109.3	Q59 L61 E105 F107	Q55-Q59 WeakPolarHBondContact CG-O 3.37Å; Q55-Q59 PolarHBondContact NE2-O 2.83Å; Q55-L61 HydrophobicContact CB-CD1 3.97Å; Q55-E105 HydrophobicContact CB-CB 4.45Å; Q55-E105 PolarHBondContact N-O 2.83Å; Q55-E105 PolarHBondContact O-N 3.36Å; Q55-F107 HydrophobicContact CB-CE2 4Å
56	Y	95.7	Very high	94.6	Very high	28 Å²	28	51.2 Å²	51.2	11%	0.11	29%	0.292	C	S	.	.			trans	-78.9	157.3	171	-62.4	-78.2	0	0	0	110.1	V54 S58 Q59 R78 S101 A104	V54-Y56 HydrophobicContact CG1-CE2 3.87Å; V54-Y56 HydrophobicContact CG2-CD2 4.41Å; V54-Y56 HydrophobicContact CG2-CE1 4.28Å; V54-Y56 HydrophobicContact CG2-CE2 3.96Å; Y56-S58 PolarHBondContact O-N 3.41Å; Y56-S58 VanDerWaalsContact O-N 3.15Å; Y56-Q59 PolarHBondContact O-N 2.58Å; Y56-R78 WeakPolarHBondContact OH-CD 3.2Å; Y56-R78 PolarHBondContact OH-NE 3.31Å; Y56-S101 VanDerWaalsContact CE1-O 3.23Å; Y56-S101 WeakPolarHBondContact CE1-O 3.41Å; Y56-A104 HydrophobicContact CD1-CB 3.58Å; Y56-A104 HydrophobicContact CE1-CB 3.68Å; Y56-A104 HydrophobicContact CG-CB 4.25Å
57	S	92.9	Very high	94.9	Very high	110 Å²	110	49.1 Å²	49.1	77%	0.769	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.5	124	178.5	-176	0	0	0	0	111.5	Q59	S57-Q59 PolarHBondContact O-N 2.92Å; S57-Q59 VanDerWaalsContact O-N 3.07Å
58	S	90.3	Very high	95.1	Very high	127 Å²	127	49.5 Å²	49.5	89%	0.888	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	13.8	177.8	-47.4	0	0	0	0	115.7	Y56	Y56-S58 PolarHBondContact O-N 3.41Å; Y56-S58 VanDerWaalsContact O-N 3.15Å
59	Q	94.3	Very high	94.7	Very high	96 Å²	96	54.5 Å²	54.5	45%	0.449	30%	0.3	S	S	.	.	S	Bend	trans	-101.8	161.5	174.4	-64.5	-176	43.7	0	0	111	Q55 Y56 S57 Q62	Q55-Q59 WeakPolarHBondContact CG-O 3.37Å; Q55-Q59 PolarHBondContact NE2-O 2.83Å; Y56-Q59 PolarHBondContact O-N 2.58Å; S57-Q59 PolarHBondContact O-N 2.92Å; S57-Q59 VanDerWaalsContact O-N 3.07Å; Q59-Q62 VanDerWaalsContact OE1-NE2 3.09Å
60	S	96.3	Very high	93.9	Very high	92 Å²	92	58.1 Å²	58.1	64%	0.643	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-69.9	158.2	170.1	55.1	0	0	0	0	111.2	Q62	S60-Q62 PolarHBondContact O-N 3.17Å
61	L	97.1	Very high	93.2	Very high	84 Å²	84	59.6 Å²	59.6	44%	0.44	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-62.4	125.8	174.1	-167.6	69.3	0	0	0	110.1	Y53 Q55 F107	Y53-L61 HydrophobicContact CD1-CD2 3.92Å; Y53-L61 HydrophobicContact CD1-CG 3.9Å; Y53-L61 HydrophobicContact CG-CD1 4.42Å; Y53-L61 HydrophobicContact CG-CD2 3.97Å; Y53-L61 HydrophobicContact CG-CG 4.06Å; Q55-L61 HydrophobicContact CB-CD1 3.97Å; L61-F107 HydrophobicContact CD1-CD2 3.6Å; L61-F107 HydrophobicContact CD1-CE2 4.01Å
62	Q	97.4	Very high	92.7	Very high	52 Å²	52	62.7 Å²	62.7	24%	0.243	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	137.4	-179.7	-63.7	178.2	21	0	0	110.6	Y53 V54 Q59 S60 L64	Y53-Q62 CarbonylContact C-O 3.47Å; Y53-Q62 WeakPolarHBondContact CA-O 3.48Å; V54-Q62 HydrophobicContact CG1-CB 4.26Å; V54-Q62 PolarHBondContact N-O 2.89Å; V54-Q62 PolarHBondContact O-N 3.3Å; Q59-Q62 VanDerWaalsContact OE1-NE2 3.09Å; S60-Q62 PolarHBondContact O-N 3.17Å; Q62-L64 PolarHBondContact O-N 3.27Å
63	L	97.3	Very high	92.2	Very high	72 Å²	72	67.6 Å²	67.6	38%	0.377	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	122.1	171.3	-177.6	68.7	0	0	0	109.5	F51 Y53 L65 K66 I77	F51-L63 HydrophobicContact CB-CD1 4.4Å; F51-L63 HydrophobicContact CD1-CD1 4.06Å; Y53-L63 HydrophobicContact CD1-CB 4.24Å; Y53-L63 HydrophobicContact CD1-CD1 4.13Å; Y53-L63 HydrophobicContact CE1-CB 4.07Å; Y53-L63 HydrophobicContact CE1-CD1 3.7Å; Y53-L63 HydrophobicContact CE2-CD1 4.37Å; L63-L65 WeakPolarHBondContact CD1-O 2.94Å; L63-K66 HydrophobicContact CD2-CD 4.18Å; L63-K66 HydrophobicContact CD2-CG 4.48Å; L63-I77 WeakPolarHBondContact O-CD1 3.49Å
64	L	96.8	Very high	92	Very high	4 Å²	4	65.4 Å²	65.4	2%	0.021	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-46.3	178.8	-169.3	70.6	0	0	0	111.3	W52 V54 Q62 G76 I77 F80 L93 Y106	W52-L64 HydrophobicContact CB-CB 4.35Å; W52-L64 HydrophobicContact CB-CD2 4.42Å; W52-L64 WeakPolarHBondContact O-CA 3.21Å; W52-L64 VanDerWaalsContact O-CB 3.3Å; W52-L64 WeakPolarHBondContact O-CB 3.27Å; W52-L64 PolarHBondContact O-N 2.03Å; V54-L64 HydrophobicContact CG1-CB 4.43Å; V54-L64 HydrophobicContact CG1-CD1 3.97Å; Q62-L64 PolarHBondContact O-N 3.27Å; L64-G76 WeakPolarHBondContact O-CA 3.3Å; L64-I77 HydrophobicContact CD1-CD1 4.48Å; L64-I77 HydrophobicContact CD1-CG1 3.77Å; L64-I77 PolarHBondContact O-N 3.07Å; L64-I77 VanDerWaalsContact O-N 3.08Å; L64-F80 HydrophobicContact CD1-CB 4.25Å; L64-F80 HydrophobicContact CD1-CD2 3.66Å; L64-F80 HydrophobicContact CD1-CE2 4.22Å; L64-F80 HydrophobicContact CD1-CG 4.05Å; L64-F80 HydrophobicContact CD2-CB 3.88Å; L64-F80 HydrophobicContact CD2-CD1 3.89Å; L64-F80 HydrophobicContact CD2-CD2 4.05Å; L64-F80 HydrophobicContact CD2-CE1 4.42Å; L64-F80 HydrophobicContact CD2-CG 3.67Å; L64-F80 HydrophobicContact CG-CB 4.03Å; L64-F80 HydrophobicContact CG-CD2 4.26Å; L64-F80 HydrophobicContact CG-CG 4.13Å; L64-L93 HydrophobicContact CD2-CD1 3.65Å; L64-L93 HydrophobicContact CD2-CD2 3.55Å; L64-L93 HydrophobicContact CD2-CG 4.22Å; L64-Y106 HydrophobicContact CD2-CD1 4.15Å; L64-Y106 HydrophobicContact CD2-CE1 4.06Å
65	L	96.5	Very high	91.9	Very high	7 Å²	7	72 Å²	72	4%	0.037	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	163.8	174	58.3	81.9	0	0	0	111.6	W52 L63 V74 A82 F91 L93	W52-L65 HydrophobicContact CB-CD1 4.14Å; W52-L65 HydrophobicContact CB-CG 4.14Å; W52-L65 HydrophobicContact CG-CD1 4.46Å; W52-L65 PolarHBondContact N-O 2.95Å; W52-L65 PolarHBondContact O-N 2.79Å; L63-L65 WeakPolarHBondContact CD1-O 2.94Å; L65-V74 HydrophobicContact CB-CG1 4.33Å; L65-V74 HydrophobicContact CD1-CG1 4.49Å; L65-A82 HydrophobicContact CD1-CB 3.73Å; L65-A82 HydrophobicContact CD2-CB 3.8Å; L65-A82 HydrophobicContact CG-CB 4.43Å; L65-F91 HydrophobicContact CD1-CE1 3.52Å; L65-F91 HydrophobicContact CD1-CZ 3.43Å; L65-F91 VanDerWaalsContact CD1-CZ 3.43Å; L65-L93 HydrophobicContact CD2-CD1 3.7Å; L65-L93 HydrophobicContact CG-CD1 4.36Å
66	K	95.1	Very high	91.8	Very high	107 Å²	107	70 Å²	70	47%	0.465	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144	173.2	65.1	179.7	179	-178.1	0	111.6	L50 F51 L63 L68 V74	L50-K66 CarbonylContact O-C 3.57Å; L50-K66 WeakPolarHBondContact O-CA 3.01Å; F51-K66 HydrophobicContact CD1-CB 3.54Å; F51-K66 HydrophobicContact CE1-CB 3.82Å; F51-K66 HydrophobicContact CE1-CD 4.18Å; F51-K66 HydrophobicContact CG-CB 4.45Å; L63-K66 HydrophobicContact CD2-CD 4.18Å; L63-K66 HydrophobicContact CD2-CG 4.48Å; K66-L68 HydrophobicContact CD-CD1 4.24Å; K66-L68 HydrophobicContact CD-CG 4.36Å; K66-V74 WeakPolarHBondContact O-CG1 3.41Å
67	D	92.9	Very high	91.7	Very high	3 Å²	3	72.3 Å²	72.3	2%	0.016	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	115.8	168.9	-172.3	1.4	0	0	0	110.6	L50 T69 K70 A71 V74 F91	L50-D67 HydrophobicContact CB-CB 4.43Å; L50-D67 PolarHBondContact N-O 2.84Å; L50-D67 VanDerWaalsContact N-O 3.1Å; L50-D67 PolarHBondContact O-N 3.08Å; D67-T69 PolarHBondContact OD1-N 3.28Å; D67-T69 PolarHBondContact OD1-OG1 3.19Å; D67-K70 PolarHBondContact OD1-N 3.03Å; D67-K70 VanDerWaalsContact OD2-CA 3.23Å; D67-K70 WeakPolarHBondContact OD2-CA 3.35Å; D67-K70 PolarHBondContact OD2-N 3Å; D67-A71 PolarHBondContact OD1-N 2.85Å; D67-A71 PolarHBondContact OD2-N 2.85Å; D67-A71 VanDerWaalsContact OD2-N 3.15Å; D67-V74 HydrophobicContact CB-CG2 3.78Å; D67-F91 HydrophobicContact CB-CE2 4Å; D67-F91 HydrophobicContact CB-CZ 3.9Å
68	L	89.2	Confident	91.8	Very high	73 Å²	73	71.4 Å²	71.4	38%	0.382	39%	0.386	S	S	.	.	S	Bend	trans	-113.9	0.7	173.8	-55.5	-179.5	0	0	0	112.4	S49 F51 K66 R113	S49-L68 WeakPolarHBondContact OG-CD2 3.35Å; F51-L68 HydrophobicContact CZ-CD2 4.32Å; K66-L68 HydrophobicContact CD-CD1 4.24Å; K66-L68 HydrophobicContact CD-CG 4.36Å; L68-R113 PolarHBondContact O-NE 3.19Å; L68-R113 PolarHBondContact O-NH2 3.18Å
69	T	82	Confident	92.1	Very high	114 Å²	114	67.9 Å²	67.9	70%	0.699	37%	0.37	S	S	*	.	S	Bend	trans	-120.1	-7.3	-173.8	53.2	0	0	0	0	113.6	D67 A71	D67-T69 PolarHBondContact OD1-N 3.28Å; D67-T69 PolarHBondContact OD1-OG1 3.19Å; T69-A71 VanDerWaalsContact C-N 3.32Å
70	K	76.5	Confident	92.2	Very high	78 Å²	78	63.4 Å²	63.4	34%	0.339	35%	0.349	S	S	.	.			trans	65.2	37.3	-168.7	-52.5	176.1	-176.7	167.5	0	111.3	D67 T72 F84	D67-K70 PolarHBondContact OD1-N 3.03Å; D67-K70 VanDerWaalsContact OD2-CA 3.23Å; D67-K70 WeakPolarHBondContact OD2-CA 3.35Å; D67-K70 PolarHBondContact OD2-N 3Å; K70-T72 PolarHBondContact O-N 2.79Å; K70-F84 HydrophobicContact CB-CD1 4.01Å; K70-F84 HydrophobicContact CB-CE1 3.71Å; K70-F84 HydrophobicContact CB-CZ 4.48Å; K70-F84 HydrophobicContact CD-CE1 4.44Å; K70-F84 HydrophobicContact CG-CE1 4Å; K70-F84 HydrophobicContact CG-CZ 4.31Å
71	A	80.7	Confident	92.3	Very high	33 Å²	33	60.4 Å²	60.4	27%	0.273	33%	0.325	S	S	.	.			trans	-66.5	131.7	176.2	0	0	0	0	0	109	D67 T69 Q73 V74 F84	D67-A71 PolarHBondContact OD1-N 2.85Å; D67-A71 PolarHBondContact OD2-N 2.85Å; D67-A71 VanDerWaalsContact OD2-N 3.15Å; T69-A71 VanDerWaalsContact C-N 3.32Å; A71-Q73 PolarHBondContact O-N 3.08Å; A71-Q73 VanDerWaalsContact O-N 3.12Å; A71-V74 HydrophobicContact CB-CG2 3.88Å; A71-F84 VanDerWaalsContact O-CB 3.3Å; A71-F84 WeakPolarHBondContact O-CB 3.4Å
72	T	84.9	Confident	92.2	Very high	104 Å²	104	56.4 Å²	56.4	64%	0.638	30%	0.304	S	S	*	.	S	Bend	trans	-54	-36.2	179.5	-48.6	0	0	0	0	111.9	K70 E83 F84	K70-T72 PolarHBondContact O-N 2.79Å; T72-E83 WeakPolarHBondContact O-CA 3.38Å; T72-E83 WeakPolarHBondContact O-CG 3.18Å; T72-F84 PolarHBondContact O-N 3.4Å
73	Q	88.7	Confident	91.9	Very high	103 Å²	103	56.4 Å²	56.4	48%	0.481	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	134.6	175.1	-167.1	-179.6	23.8	0	0	109.7	A71 E81 A82	A71-Q73 PolarHBondContact O-N 3.08Å; A71-Q73 VanDerWaalsContact O-N 3.12Å; Q73-E81 VanDerWaalsContact NE2-CD 3.27Å; Q73-E81 PolarHBondContact NE2-OE1 2.93Å; Q73-E81 PolarHBondContact NE2-OE2 2.89Å; Q73-A82 CarbonylContact C-O 3.49Å; Q73-A82 WeakPolarHBondContact CA-O 3.38Å
74	V	93.3	Very high	91.4	Very high	19 Å²	19	53.9 Å²	53.9	12%	0.115	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.3	176.7	177.4	0	0	0	0	108.9	L65 K66 D67 A71 E81 A82	L65-V74 HydrophobicContact CB-CG1 4.33Å; L65-V74 HydrophobicContact CD1-CG1 4.49Å; K66-V74 WeakPolarHBondContact O-CG1 3.41Å; D67-V74 HydrophobicContact CB-CG2 3.78Å; A71-V74 HydrophobicContact CB-CG2 3.88Å; V74-E81 CarbonylContact O-C 3.48Å; V74-E81 WeakPolarHBondContact O-CA 3.4Å; V74-E81 WeakPolarHBondContact O-CB 3.48Å; V74-A82 PolarHBondContact N-O 3.45Å; V74-A82 PolarHBondContact O-N 3.12Å
75	K	95.1	Very high	91	Very high	137 Å²	137	56.1 Å²	56.1	60%	0.596	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	130.9	171.6	-60.9	-63.6	-176.8	173.7	0	109.3	E81	K75-E81 HydrophobicContact CD-CB 4Å; K75-E81 IonicContact NZ-OE2 2.58Å; K75-E81 PolarHBondContact NZ-OE2 2.87Å
76	G	94.4	Very high	90.3	Very high	26 Å²	26	62.4 Å²	62.4	27%	0.268	33%	0.327	S	S	.	.			trans	-99.2	-163.4	172.1	0	0	0	0	0	112.7	L64 F80	L64-G76 WeakPolarHBondContact O-CA 3.3Å; G76-F80 WeakPolarHBondContact CA-O 3.32Å; G76-F80 PolarHBondContact N-O 3.33Å
77	I	94.8	Very high	89.9	Confident	77 Å²	77	62.9 Å²	62.9	40%	0.395	34%	0.343	S	S	.	.	S	Bend	trans	-86.5	163.6	170.5	66	-176.8	0	0	0	110.9	L63 L64 G79 F80	L63-I77 WeakPolarHBondContact O-CD1 3.49Å; L64-I77 HydrophobicContact CD1-CD1 4.48Å; L64-I77 HydrophobicContact CD1-CG1 3.77Å; L64-I77 PolarHBondContact O-N 3.07Å; L64-I77 VanDerWaalsContact O-N 3.08Å; I77-G79 PolarHBondContact O-N 2.95Å; I77-F80 PolarHBondContact O-N 3.02Å
78	R	94.5	Very high	89.7	Confident	91 Å²	91	67 Å²	67	34%	0.343	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	31.2	174.5	-62.7	-179.7	-73.8	-98.4	-0.2	114.9	Y56 F80 K95	Y56-R78 WeakPolarHBondContact OH-CD 3.2Å; Y56-R78 PolarHBondContact OH-NE 3.31Å; R78-F80 HydrophobicContact CB-CD2 4.06Å; R78-F80 HydrophobicContact CB-CE2 4.32Å; R78-F80 PolarHBondContact O-N 3.34Å; R78-K95 PolarHBondContact O-NZ 3.45Å
79	G	96	Very high	89.8	Confident	53 Å²	53	66.7 Å²	66.7	55%	0.546	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	10.2	177.1	0	0	0	0	0	114.4	I77	I77-G79 PolarHBondContact O-N 2.95Å
80	F	97.5	Very high	90.4	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.009	33%	0.331	C	S	.	.			trans	-79.8	149.8	172	-74.8	-88.3	0	0	0	111.2	L36 L64 G76 I77 R78 L93 R94 K95 D102 Y106	L36-F80 HydrophobicContact CD2-CE1 4.16Å; L64-F80 HydrophobicContact CD1-CB 4.25Å; L64-F80 HydrophobicContact CD1-CD2 3.66Å; L64-F80 HydrophobicContact CD1-CE2 4.22Å; L64-F80 HydrophobicContact CD1-CG 4.05Å; L64-F80 HydrophobicContact CD2-CB 3.88Å; L64-F80 HydrophobicContact CD2-CD1 3.89Å; L64-F80 HydrophobicContact CD2-CD2 4.05Å; L64-F80 HydrophobicContact CD2-CE1 4.42Å; L64-F80 HydrophobicContact CD2-CG 3.67Å; L64-F80 HydrophobicContact CG-CB 4.03Å; L64-F80 HydrophobicContact CG-CD2 4.26Å; L64-F80 HydrophobicContact CG-CG 4.13Å; G76-F80 WeakPolarHBondContact CA-O 3.32Å; G76-F80 PolarHBondContact N-O 3.33Å; I77-F80 PolarHBondContact O-N 3.02Å; R78-F80 HydrophobicContact CB-CD2 4.06Å; R78-F80 HydrophobicContact CB-CE2 4.32Å; R78-F80 PolarHBondContact O-N 3.34Å; F80-L93 HydrophobicContact CB-CD1 4.03Å; F80-L93 HydrophobicContact CD1-CD1 3.9Å; F80-L93 HydrophobicContact CD1-CD2 3.97Å; F80-L93 HydrophobicContact CD1-CG 3.85Å; F80-L93 HydrophobicContact CE1-CD2 4.23Å; F80-L93 HydrophobicContact CE1-CG 4.46Å; F80-L93 HydrophobicContact CG-CD1 4.36Å; F80-R94 WeakPolarHBondContact CA-O 3.17Å; F80-K95 HydrophobicContact CD1-CB 3.82Å; F80-K95 HydrophobicContact CD1-CD 4.21Å; F80-K95 HydrophobicContact CD2-CD 4.03Å; F80-K95 HydrophobicContact CE1-CB 3.75Å; F80-K95 HydrophobicContact CE1-CD 3.81Å; F80-K95 HydrophobicContact CE1-CG 4.42Å; F80-K95 HydrophobicContact CE2-CD 3.63Å; F80-K95 HydrophobicContact CG-CB 4.46Å; F80-K95 HydrophobicContact CG-CD 4.31Å; F80-K95 HydrophobicContact CZ-CB 4.32Å; F80-K95 HydrophobicContact CZ-CD 3.49Å; F80-K95 VanDerWaalsContact CZ-CD 3.49Å; F80-D102 HydrophobicContact CZ-CB 4.39Å; F80-Y106 AromaticContact CE1-CE1 3.84Å; F80-Y106 HydrophobicContact CE1-CE1 3.84Å; F80-Y106 HydrophobicContact CE2-CE1 4.38Å; F80-Y106 AromaticContact CZ-CE1 3.7Å; F80-Y106 HydrophobicContact CZ-CE1 3.7Å; F80-Y106 AromaticContact CZ-CZ 3.75Å; F80-Y106 WeakPolarHBondContact CZ-OH 2.95Å
81	E	97.1	Very high	91.2	Very high	29 Å²	29	57.6 Å²	57.6	14%	0.136	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	159.1	174.4	60.7	-176.6	-130.1	0	0	109.9	Q73 V74 K75 L93 R94	Q73-E81 VanDerWaalsContact NE2-CD 3.27Å; Q73-E81 PolarHBondContact NE2-OE1 2.93Å; Q73-E81 PolarHBondContact NE2-OE2 2.89Å; V74-E81 CarbonylContact O-C 3.48Å; V74-E81 WeakPolarHBondContact O-CA 3.4Å; V74-E81 WeakPolarHBondContact O-CB 3.48Å; K75-E81 HydrophobicContact CD-CB 4Å; K75-E81 IonicContact NZ-OE2 2.58Å; K75-E81 PolarHBondContact NZ-OE2 2.87Å; E81-L93 CarbonylContact O-C 3.53Å; E81-R94 HydrophobicContact CG-CB 3.93Å; E81-R94 PolarHBondContact N-O 3.24Å; E81-R94 PolarHBondContact O-N 3.28Å
82	A	96.2	Very high	91.9	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	145.1	172	0	0	0	0	0	110.9	L65 Q73 V74 F91 Y92	L65-A82 HydrophobicContact CD1-CB 3.73Å; L65-A82 HydrophobicContact CD2-CB 3.8Å; L65-A82 HydrophobicContact CG-CB 4.43Å; Q73-A82 CarbonylContact C-O 3.49Å; Q73-A82 WeakPolarHBondContact CA-O 3.38Å; V74-A82 PolarHBondContact N-O 3.45Å; V74-A82 PolarHBondContact O-N 3.12Å; A82-F91 HydrophobicContact CB-CD1 4.46Å; A82-F91 HydrophobicContact CB-CD2 4.05Å; A82-F91 HydrophobicContact CB-CE1 4.02Å; A82-F91 HydrophobicContact CB-CE2 3.55Å; A82-F91 HydrophobicContact CB-CG 4.49Å; A82-F91 HydrophobicContact CB-CZ 3.55Å; A82-Y92 WeakPolarHBondContact CA-O 3.23Å; A82-Y92 WeakPolarHBondContact CB-O 3.47Å
83	E	90.6	Very high	92.5	Very high	52 Å²	52	52.6 Å²	52.6	24%	0.243	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.8	173.4	-168.7	-171.7	168.1	0	0	109.3	T72 K85 F91 Y92 R94	T72-E83 WeakPolarHBondContact O-CA 3.38Å; T72-E83 WeakPolarHBondContact O-CG 3.18Å; E83-K85 HydrophobicContact CG-CG 4.08Å; E83-K85 WeakPolarHBondContact OE1-CE 3.19Å; E83-K85 VanDerWaalsContact OE2-CE 3.29Å; E83-K85 WeakPolarHBondContact OE2-CE 3.32Å; E83-F91 WeakPolarHBondContact O-CA 3.48Å; E83-Y92 PolarHBondContact N-O 3.34Å; E83-Y92 PolarHBondContact O-N 2.7Å; E83-R94 IonicContact OE2-CZ 2.72Å; E83-R94 VanDerWaalsContact OE2-CZ 3.31Å; E83-R94 IonicContact OE2-NH1 3.93Å; E83-R94 PolarHBondContact OE2-NH1 3.34Å; E83-R94 IonicContact OE2-NH2 2.76Å; E83-R94 PolarHBondContact OE2-NH2 3.19Å; E83-R94 VanDerWaalsContact OE2-NH2 3.17Å
84	F	87.4	Confident	92.9	Very high	18 Å²	18	51 Å²	51	8%	0.079	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	107.5	174	176.6	-112.1	0	0	0	110.3	Y42 L50 K70 A71 T72 K86 F91	Y42-F84 HydrophobicContact CE1-CE2 4.14Å; Y42-F84 AromaticContact CZ-CE2 3.97Å; Y42-F84 WeakPolarHBondContact OH-CE2 3.47Å; L50-F84 HydrophobicContact CD1-CD2 3.31Å; L50-F84 HydrophobicContact CD1-CE2 3.44Å; L50-F84 VanDerWaalsContact CD1-CE2 3.44Å; K70-F84 HydrophobicContact CB-CD1 4.01Å; K70-F84 HydrophobicContact CB-CE1 3.71Å; K70-F84 HydrophobicContact CB-CZ 4.48Å; K70-F84 HydrophobicContact CD-CE1 4.44Å; K70-F84 HydrophobicContact CG-CE1 4Å; K70-F84 HydrophobicContact CG-CZ 4.31Å; A71-F84 VanDerWaalsContact O-CB 3.3Å; A71-F84 WeakPolarHBondContact O-CB 3.4Å; T72-F84 PolarHBondContact O-N 3.4Å; F84-K86 HydrophobicContact CE1-CB 3.68Å; F84-K86 HydrophobicContact CE1-CG 4.2Å; F84-K86 HydrophobicContact CZ-CB 3.83Å; F84-K86 HydrophobicContact CZ-CG 4.04Å; F84-F91 HydrophobicContact CB-CD2 4.2Å; F84-F91 HydrophobicContact CB-CE2 4.36Å; F84-F91 HydrophobicContact CD2-CD2 4.4Å
85	K	86.9	Confident	93.1	Very high	51 Å²	51	50.8 Å²	50.8	22%	0.222	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	88.7	177.5	-66.3	-174.2	174.3	-169.8	0	110.8	E83 S87 E88 T89 S90	E83-K85 HydrophobicContact CG-CG 4.08Å; E83-K85 WeakPolarHBondContact OE1-CE 3.19Å; E83-K85 VanDerWaalsContact OE2-CE 3.29Å; E83-K85 WeakPolarHBondContact OE2-CE 3.32Å; K85-S87 VanDerWaalsContact C-N 3.31Å; K85-S87 PolarHBondContact O-N 2.85Å; K85-E88 HydrophobicContact CB-CB 4.23Å; K85-E88 WeakPolarHBondContact CD-OE2 3.29Å; K85-E88 IonicContact NZ-OE1 2.69Å; K85-E88 IonicContact NZ-OE2 2.85Å; K85-E88 PolarHBondContact O-N 2.83Å; K85-E88 VanDerWaalsContact O-N 3.17Å; K85-T89 PolarHBondContact O-N 2.91Å; K85-T89 VanDerWaalsContact O-N 3.08Å; K85-S90 WeakPolarHBondContact CB-OG 3.46Å; K85-S90 PolarHBondContact N-O 2.81Å; K85-S90 PolarHBondContact O-N 3.4Å
86	K	82.7	Confident	93.2	Very high	140 Å²	140	48.3 Å²	48.3	61%	0.609	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-56.5	-40.7	-177.2	-168.4	-175.9	175.6	-164.7	0	113.7	F84 E88 T89	F84-K86 HydrophobicContact CE1-CB 3.68Å; F84-K86 HydrophobicContact CE1-CG 4.2Å; F84-K86 HydrophobicContact CZ-CB 3.83Å; F84-K86 HydrophobicContact CZ-CG 4.04Å; K86-E88 VanDerWaalsContact C-N 3.26Å; K86-E88 PolarHBondContact O-N 3.14Å; K86-T89 PolarHBondContact O-N 2.81Å
87	S	86	Confident	93.3	Very high	116 Å²	116	49.2 Å²	49.2	81%	0.811	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-65.1	-30.9	-178.4	49	0	0	0	0	113.1	K85	K85-S87 VanDerWaalsContact C-N 3.31Å; K85-S87 PolarHBondContact O-N 2.85Å
88	E	88.5	Confident	93.4	Very high	90 Å²	90	45.8 Å²	45.8	42%	0.421	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-96.6	-2.7	-179.5	-66	172.8	-151.4	0	0	111.9	K85 K86 S90	K85-E88 HydrophobicContact CB-CB 4.23Å; K85-E88 WeakPolarHBondContact CD-OE2 3.29Å; K85-E88 IonicContact NZ-OE1 2.69Å; K85-E88 IonicContact NZ-OE2 2.85Å; K85-E88 PolarHBondContact O-N 2.83Å; K85-E88 VanDerWaalsContact O-N 3.17Å; K86-E88 VanDerWaalsContact C-N 3.26Å; K86-E88 PolarHBondContact O-N 3.14Å; E88-S90 WeakPolarHBondContact CB-OG 3.32Å; E88-S90 PolarHBondContact O-N 3.1Å
89	T	92	Very high	93.6	Very high	67 Å²	67	45.9 Å²	45.9	41%	0.411	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	44	-171.8	55	0	0	0	0	112.1	N41 Y42 K85 K86	N41-T89 CarbonylContact C-O 3.58Å; N41-T89 WeakPolarHBondContact CA-O 3.37Å; Y42-T89 VanDerWaalsContact CD1-O 3.25Å; Y42-T89 WeakPolarHBondContact CD1-O 3.19Å; Y42-T89 VanDerWaalsContact CE1-C 3.41Å; Y42-T89 PolarHBondContact N-O 2.97Å; Y42-T89 VanDerWaalsContact O-CB 3.29Å; Y42-T89 WeakPolarHBondContact O-CB 3.29Å; K85-T89 PolarHBondContact O-N 2.91Å; K85-T89 VanDerWaalsContact O-N 3.08Å; K86-T89 PolarHBondContact O-N 2.81Å
90	S	93.9	Very high	93.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	151.6	-173.5	68	0	0	0	0	113.4	C40 N41 K85 E88	C40-S90 WeakPolarHBondContact O-CA 3.44Å; N41-S90 WeakPolarHBondContact OD1-CB 3.42Å; K85-S90 WeakPolarHBondContact CB-OG 3.46Å; K85-S90 PolarHBondContact N-O 2.81Å; K85-S90 PolarHBondContact O-N 3.4Å; E88-S90 WeakPolarHBondContact CB-OG 3.32Å; E88-S90 PolarHBondContact O-N 3.1Å
91	F	94.6	Very high	93.4	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	75	-179.7	-168.9	-126.1	0	0	0	110.1	C40 L50 W52 L65 D67 A82 E83 F84	C40-F91 PolarHBondContact O-N 2.67Å; L50-F91 HydrophobicContact CB-CD1 3.59Å; L50-F91 HydrophobicContact CB-CD2 4.31Å; L50-F91 HydrophobicContact CB-CE1 3.61Å; L50-F91 HydrophobicContact CB-CE2 4.35Å; L50-F91 HydrophobicContact CB-CG 3.94Å; L50-F91 HydrophobicContact CB-CZ 4Å; L50-F91 HydrophobicContact CD1-CB 3.94Å; L50-F91 HydrophobicContact CD1-CD1 4.33Å; L50-F91 HydrophobicContact CD1-CD2 3.85Å; L50-F91 HydrophobicContact CD1-CE2 4.39Å; L50-F91 HydrophobicContact CD1-CG 3.8Å; L50-F91 HydrophobicContact CD2-CB 4.35Å; L50-F91 HydrophobicContact CG-CD1 4.39Å; L50-F91 HydrophobicContact CG-CG 4.33Å; W52-F91 AromaticContact CD1-CD1 3.46Å; W52-F91 VanDerWaalsContact CD1-CD1 3.46Å; W52-F91 AromaticContact CD1-CE1 3.46Å; W52-F91 VanDerWaalsContact CD1-CE1 3.46Å; W52-F91 AromaticContact NE1-CD1 3.48Å; W52-F91 AromaticContact NE1-CE1 3.98Å; W52-F91 PolarHBondContact NE1-O 2.76Å; L65-F91 HydrophobicContact CD1-CE1 3.52Å; L65-F91 HydrophobicContact CD1-CZ 3.43Å; L65-F91 VanDerWaalsContact CD1-CZ 3.43Å; D67-F91 HydrophobicContact CB-CE2 4Å; D67-F91 HydrophobicContact CB-CZ 3.9Å; A82-F91 HydrophobicContact CB-CD1 4.46Å; A82-F91 HydrophobicContact CB-CD2 4.05Å; A82-F91 HydrophobicContact CB-CE1 4.02Å; A82-F91 HydrophobicContact CB-CE2 3.55Å; A82-F91 HydrophobicContact CB-CG 4.49Å; A82-F91 HydrophobicContact CB-CZ 3.55Å; E83-F91 WeakPolarHBondContact O-CA 3.48Å; F84-F91 HydrophobicContact CB-CD2 4.2Å; F84-F91 HydrophobicContact CB-CE2 4.36Å; F84-F91 HydrophobicContact CD2-CD2 4.4Å
92	Y	95.4	Very high	93.3	Very high	30 Å²	30	51.8 Å²	51.8	12%	0.118	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	131.3	-171.5	-63.1	-6.9	0	0	0	110.5	E37 L38 K39 N41 A82 E83	E37-Y92 HydrophobicContact CG-CD2 4.48Å; L38-Y92 CarbonylContact O-C 3.59Å; L38-Y92 VanDerWaalsContact O-CA 3.31Å; L38-Y92 WeakPolarHBondContact O-CA 3.3Å; K39-Y92 HydrophobicContact CB-CD1 3.97Å; K39-Y92 HydrophobicContact CB-CE1 3.67Å; K39-Y92 HydrophobicContact CB-CE2 4.5Å; K39-Y92 HydrophobicContact CB-CG 4.47Å; K39-Y92 HydrophobicContact CD-CE2 4.35Å; K39-Y92 HydrophobicContact CG-CD1 4.19Å; K39-Y92 HydrophobicContact CG-CD2 4.05Å; K39-Y92 HydrophobicContact CG-CE1 3.98Å; K39-Y92 HydrophobicContact CG-CE2 3.89Å; K39-Y92 HydrophobicContact CG-CG 4.22Å; N41-Y92 PolarHBondContact OD1-OH 3.21Å; A82-Y92 WeakPolarHBondContact CA-O 3.23Å; A82-Y92 WeakPolarHBondContact CB-O 3.47Å; E83-Y92 PolarHBondContact N-O 3.34Å; E83-Y92 PolarHBondContact O-N 2.7Å
93	L	96.9	Very high	93.3	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.1	175.6	179.9	71.7	0	0	0	108.7	E37 L38 W52 L64 L65 F80 E81 Y106	E37-L93 CarbonylContact C-O 3.51Å; E37-L93 VanDerWaalsContact CA-O 3.31Å; E37-L93 WeakPolarHBondContact CA-O 3.23Å; L38-L93 HydrophobicContact CB-CB 4.25Å; L38-L93 HydrophobicContact CD1-CD2 4.15Å; L38-L93 PolarHBondContact N-O 3.35Å; L38-L93 PolarHBondContact O-N 2.73Å; W52-L93 HydrophobicContact CB-CD1 4.21Å; W52-L93 HydrophobicContact CB-CD2 4.41Å; W52-L93 HydrophobicContact CD2-CB 3.74Å; W52-L93 HydrophobicContact CD2-CD1 4.48Å; W52-L93 HydrophobicContact CD2-CD2 3.86Å; W52-L93 HydrophobicContact CD2-CG 4.25Å; W52-L93 VanDerWaalsContact CE2-CB 3.45Å; W52-L93 HydrophobicContact CE3-CB 4.31Å; W52-L93 HydrophobicContact CE3-CD2 3.8Å; W52-L93 HydrophobicContact CG-CB 4.04Å; W52-L93 HydrophobicContact CG-CD1 4.03Å; W52-L93 HydrophobicContact CG-CD2 4.14Å; W52-L93 HydrophobicContact CG-CG 4.32Å; W52-L93 HydrophobicContact CH2-CB 4.32Å; W52-L93 HydrophobicContact CZ2-CB 3.75Å; W52-L93 HydrophobicContact CZ3-CD2 4.31Å; L64-L93 HydrophobicContact CD2-CD1 3.65Å; L64-L93 HydrophobicContact CD2-CD2 3.55Å; L64-L93 HydrophobicContact CD2-CG 4.22Å; L65-L93 HydrophobicContact CD2-CD1 3.7Å; L65-L93 HydrophobicContact CG-CD1 4.36Å; F80-L93 HydrophobicContact CB-CD1 4.03Å; F80-L93 HydrophobicContact CD1-CD1 3.9Å; F80-L93 HydrophobicContact CD1-CD2 3.97Å; F80-L93 HydrophobicContact CD1-CG 3.85Å; F80-L93 HydrophobicContact CE1-CD2 4.23Å; F80-L93 HydrophobicContact CE1-CG 4.46Å; F80-L93 HydrophobicContact CG-CD1 4.36Å; E81-L93 CarbonylContact O-C 3.53Å; L93-Y106 HydrophobicContact CD2-CD1 3.68Å; L93-Y106 HydrophobicContact CD2-CE1 4.2Å; L93-Y106 HydrophobicContact CD2-CG 4.41Å
94	R	96.8	Very high	93.6	Very high	69 Å²	69	54.7 Å²	54.7	26%	0.26	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.3	179.8	-68.1	-177.5	177.7	138.5	9.1	111.1	L36 E37 F80 E81 E83	L36-R94 CarbonylContact O-C 3.56Å; L36-R94 VanDerWaalsContact O-CA 3.24Å; L36-R94 WeakPolarHBondContact O-CA 3.37Å; E37-R94 HydrophobicContact CB-CG 4.32Å; E37-R94 HydrophobicContact CG-CG 4.05Å; E37-R94 IonicContact OE2-CZ 2.69Å; E37-R94 VanDerWaalsContact OE2-CZ 3.23Å; E37-R94 IonicContact OE2-NE 3.51Å; E37-R94 PolarHBondContact OE2-NE 3.29Å; E37-R94 IonicContact OE2-NH2 3.17Å; E37-R94 PolarHBondContact OE2-NH2 3.45Å; F80-R94 WeakPolarHBondContact CA-O 3.17Å; E81-R94 HydrophobicContact CG-CB 3.93Å; E81-R94 PolarHBondContact N-O 3.24Å; E81-R94 PolarHBondContact O-N 3.28Å; E83-R94 IonicContact OE2-CZ 2.72Å; E83-R94 VanDerWaalsContact OE2-CZ 3.31Å; E83-R94 IonicContact OE2-NH1 3.93Å; E83-R94 PolarHBondContact OE2-NH1 3.34Å; E83-R94 IonicContact OE2-NH2 2.76Å; E83-R94 PolarHBondContact OE2-NH2 3.19Å; E83-R94 VanDerWaalsContact OE2-NH2 3.17Å
95	K	97.1	Very high	94	Very high	16 Å²	16	59.6 Å²	59.6	7%	0.07	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	118.5	165.6	179.9	156.9	-178.4	162.3	0	108.9	P35 L36 R78 F80 S97 T98 D102	P35-K95 WeakPolarHBondContact CA-O 3.49Å; L36-K95 HydrophobicContact CB-CB 4.31Å; L36-K95 PolarHBondContact N-O 3.43Å; L36-K95 PolarHBondContact O-N 3.15Å; R78-K95 PolarHBondContact O-NZ 3.45Å; F80-K95 HydrophobicContact CD1-CB 3.82Å; F80-K95 HydrophobicContact CD1-CD 4.21Å; F80-K95 HydrophobicContact CD2-CD 4.03Å; F80-K95 HydrophobicContact CE1-CB 3.75Å; F80-K95 HydrophobicContact CE1-CD 3.81Å; F80-K95 HydrophobicContact CE1-CG 4.42Å; F80-K95 HydrophobicContact CE2-CD 3.63Å; F80-K95 HydrophobicContact CG-CB 4.46Å; F80-K95 HydrophobicContact CG-CD 4.31Å; F80-K95 HydrophobicContact CZ-CB 4.32Å; F80-K95 HydrophobicContact CZ-CD 3.49Å; F80-K95 VanDerWaalsContact CZ-CD 3.49Å; K95-S97 VanDerWaalsContact C-N 3.26Å; K95-S97 WeakPolarHBondContact CE-O 3.41Å; K95-S97 PolarHBondContact O-N 2.87Å; K95-T98 HydrophobicContact CB-CG2 4.44Å; K95-T98 HydrophobicContact CD-CG2 4.44Å; K95-T98 HydrophobicContact CG-CG2 4.35Å; K95-D102 WeakPolarHBondContact CD-OD2 3.48Å; K95-D102 WeakPolarHBondContact CE-OD2 3.47Å; K95-D102 IonicContact NZ-OD1 3.23Å; K95-D102 PolarHBondContact NZ-OD1 3.49Å; K95-D102 IonicContact NZ-OD2 3.64Å; K95-D102 PolarHBondContact NZ-OD2 3.38Å
96	P	97	Very high	94.5	Very high	84 Å²	84	58.2 Å²	58.2	55%	0.545	33%	0.331	S	S	.	.	S	Bend	trans	-62.1	-29.9	-175.8	-27.4	35.6	0	0	0	115	P35	P35-P96 WeakPolarHBondContact CA-O 3.46Å
97	S	97.6	Very high	95.2	Very high	46 Å²	46	55 Å²	55	32%	0.322	32%	0.317	S	S	.	.	S	Bend	trans	-147.5	111.3	-178.6	-172.2	0	0	0	0	109.8	E33 K95	E33-S97 WeakPolarHBondContact CA-OG 2.95Å; E33-S97 PolarHBondContact O-OG 3.37Å; K95-S97 VanDerWaalsContact C-N 3.26Å; K95-S97 WeakPolarHBondContact CE-O 3.41Å; K95-S97 PolarHBondContact O-N 2.87Å
98	T	97.1	Very high	95.6	Very high	4 Å²	4	49.9 Å²	49.9	3%	0.025	28%	0.282	C	S	.	.			trans	-84.2	146.9	-178.7	47.8	0	0	0	0	113.1	V30 S31 E33 A34 L36 K95	V30-T98 HydrophobicContact CG1-CG2 4.1Å; S31-T98 PolarHBondContact O-OG1 2.81Å; S31-T98 VanDerWaalsContact O-OG1 3.06Å; E33-T98 WeakPolarHBondContact CA-O 3.43Å; E33-T98 PolarHBondContact N-O 3.03Å; A34-T98 PolarHBondContact O-N 3.17Å; A34-T98 PolarHBondContact O-OG1 2.69Å; L36-T98 HydrophobicContact CB-CG2 3.35Å; L36-T98 HydrophobicContact CD2-CG2 3.93Å; L36-T98 HydrophobicContact CG-CG2 4.26Å; K95-T98 HydrophobicContact CB-CG2 4.44Å; K95-T98 HydrophobicContact CD-CG2 4.44Å; K95-T98 HydrophobicContact CG-CG2 4.35Å
99	H	97.1	Very high	96	Very high	94 Å²	94	47.1 Å²	47.1	44%	0.435	27%	0.274	S	S	.	.			trans	-117.9	160.3	172.2	-61.1	76	0	0	0	109.4	S101 D102	H99-S101 PolarHBondContact O-N 3.36Å; H99-S101 VanDerWaalsContact O-N 3.1Å; H99-D102 PolarHBondContact N-OD2 3.39Å; H99-D102 IonicContact ND1-OD2 3.31Å; H99-D102 VanDerWaalsContact O-CB 3.27Å; H99-D102 WeakPolarHBondContact O-CB 3.35Å; H99-D102 PolarHBondContact O-N 2.99Å
100	V	95.3	Very high	96.1	Very high	109 Å²	109	45.1 Å²	45.1	66%	0.661	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-55	-31.9	174.6	178.3	0	0	0	0	111.9	D102 A103	V100-D102 PolarHBondContact O-N 3.45Å; V100-D102 VanDerWaalsContact O-N 3.13Å; V100-A103 WeakPolarHBondContact O-CB 3.39Å; V100-A103 PolarHBondContact O-N 2.85Å; V100-A103 VanDerWaalsContact O-N 3.17Å
101	S	94.5	Very high	96	Very high	88 Å²	88	45.9 Å²	45.9	62%	0.615	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-65.5	-9.8	175.2	62.1	0	0	0	0	114.9	Y56 H99	Y56-S101 VanDerWaalsContact CE1-O 3.23Å; Y56-S101 WeakPolarHBondContact CE1-O 3.41Å; H99-S101 PolarHBondContact O-N 3.36Å; H99-S101 VanDerWaalsContact O-N 3.1Å
102	D	96.5	Very high	95.5	Very high	11 Å²	11	50.6 Å²	50.6	6%	0.059	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-88.6	-5.2	176.2	-61	-45.6	0	0	0	113.2	F80 K95 H99 V100 A104 Y106	F80-D102 HydrophobicContact CZ-CB 4.39Å; K95-D102 WeakPolarHBondContact CD-OD2 3.48Å; K95-D102 WeakPolarHBondContact CE-OD2 3.47Å; K95-D102 IonicContact NZ-OD1 3.23Å; K95-D102 PolarHBondContact NZ-OD1 3.49Å; K95-D102 IonicContact NZ-OD2 3.64Å; K95-D102 PolarHBondContact NZ-OD2 3.38Å; H99-D102 PolarHBondContact N-OD2 3.39Å; H99-D102 IonicContact ND1-OD2 3.31Å; H99-D102 VanDerWaalsContact O-CB 3.27Å; H99-D102 WeakPolarHBondContact O-CB 3.35Å; H99-D102 PolarHBondContact O-N 2.99Å; V100-D102 PolarHBondContact O-N 3.45Å; V100-D102 VanDerWaalsContact O-N 3.13Å; D102-A104 PolarHBondContact O-N 3.11Å; D102-Y106 PolarHBondContact O-OH 3.35Å
103	A	95.7	Very high	94.4	Very high	81 Å²	81	56.1 Å²	56.1	67%	0.669	32%	0.316	S	S	*	.			trans	-63.6	109.6	174.5	0	0	0	0	0	110.3	V100	V100-A103 WeakPolarHBondContact O-CB 3.39Å; V100-A103 PolarHBondContact O-N 2.85Å; V100-A103 VanDerWaalsContact O-N 3.17Å
104	A	96.4	Very high	94.3	Very high	32 Å²	32	58.9 Å²	58.9	26%	0.264	33%	0.331	S	S	.	.	S	Bend	trans	-165.8	171.6	-173.9	0	0	0	0	0	111.1	V54 Y56 D102 Y106	V54-A104 HydrophobicContact CG2-CB 3.42Å; V54-A104 VanDerWaalsContact CG2-CB 3.42Å; Y56-A104 HydrophobicContact CD1-CB 3.58Å; Y56-A104 HydrophobicContact CE1-CB 3.68Å; Y56-A104 HydrophobicContact CG-CB 4.25Å; D102-A104 PolarHBondContact O-N 3.11Å; A104-Y106 HydrophobicContact CB-CE2 3.9Å; A104-Y106 WeakPolarHBondContact O-CD2 3.25Å; A104-Y106 WeakPolarHBondContact O-CE2 3.4Å
105	E	96.3	Very high	94.2	Very high	121 Å²	121	58.4 Å²	58.4	57%	0.565	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.6	137.2	168.1	-66.9	178.1	-134.2	0	0	110.2	V54 Q55 F107	V54-E105 CarbonylContact C-O 3.53Å; V54-E105 VanDerWaalsContact CA-O 3.32Å; V54-E105 WeakPolarHBondContact CA-O 3.17Å; Q55-E105 HydrophobicContact CB-CB 4.45Å; Q55-E105 PolarHBondContact N-O 2.83Å; Q55-E105 PolarHBondContact O-N 3.36Å; E105-F107 HydrophobicContact CB-CE2 3.73Å; E105-F107 HydrophobicContact CB-CZ 3.93Å; E105-F107 WeakPolarHBondContact OE2-CZ 3.41Å
106	Y	96.8	Very high	94	Very high	23 Å²	23	60.7 Å²	60.7	9%	0.09	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.2	-177.6	-66.3	-94	0	0	0	110.2	Q23 L38 Y53 V54 L64 F80 L93 D102 A104	Q23-Y106 PolarHBondContact NE2-O 2.79Å; L38-Y106 HydrophobicContact CD1-CD1 4.23Å; L38-Y106 HydrophobicContact CD1-CD2 3.76Å; L38-Y106 HydrophobicContact CD1-CG 3.6Å; Y53-Y106 WeakPolarHBondContact O-CA 3.04Å; V54-Y106 HydrophobicContact CB-CD1 3.87Å; V54-Y106 HydrophobicContact CB-CE1 3.79Å; V54-Y106 HydrophobicContact CG2-CD1 3.87Å; V54-Y106 HydrophobicContact CG2-CE1 3.49Å; V54-Y106 VanDerWaalsContact CG2-CE1 3.49Å; V54-Y106 HydrophobicContact CG2-CE2 4.32Å; V54-Y106 HydrophobicContact CG2-CG 4.43Å; L64-Y106 HydrophobicContact CD2-CD1 4.15Å; L64-Y106 HydrophobicContact CD2-CE1 4.06Å; F80-Y106 AromaticContact CE1-CE1 3.84Å; F80-Y106 HydrophobicContact CE1-CE1 3.84Å; F80-Y106 HydrophobicContact CE2-CE1 4.38Å; F80-Y106 AromaticContact CZ-CE1 3.7Å; F80-Y106 HydrophobicContact CZ-CE1 3.7Å; F80-Y106 AromaticContact CZ-CZ 3.75Å; F80-Y106 WeakPolarHBondContact CZ-OH 2.95Å; L93-Y106 HydrophobicContact CD2-CD1 3.68Å; L93-Y106 HydrophobicContact CD2-CE1 4.2Å; L93-Y106 HydrophobicContact CD2-CG 4.41Å; D102-Y106 PolarHBondContact O-OH 3.35Å; A104-Y106 HydrophobicContact CB-CE2 3.9Å; A104-Y106 WeakPolarHBondContact O-CD2 3.25Å; A104-Y106 WeakPolarHBondContact O-CE2 3.4Å
107	F	96.7	Very high	93.8	Very high	71 Å²	71	59.4 Å²	59.4	31%	0.311	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	126.2	-175.9	-56.8	-87.6	0	0	0	110.4	W52 Y53 Q55 L61 E105	W52-F107 CarbonylContact C-O 3.47Å; W52-F107 WeakPolarHBondContact CA-O 3.41Å; W52-F107 VanDerWaalsContact CE3-C 3.48Å; Y53-F107 PolarHBondContact N-O 3.15Å; Y53-F107 PolarHBondContact O-N 3.24Å; Q55-F107 HydrophobicContact CB-CE2 4Å; L61-F107 HydrophobicContact CD1-CD2 3.6Å; L61-F107 HydrophobicContact CD1-CE2 4.01Å; E105-F107 HydrophobicContact CB-CE2 3.73Å; E105-F107 HydrophobicContact CB-CZ 3.93Å; E105-F107 WeakPolarHBondContact OE2-CZ 3.41Å
108	C	96.3	Very high	93.6	Very high	9 Å²	9	60.2 Å²	60.2	6%	0.061	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	149.4	168.5	73.3	0	0	0	0	111	Q23 C40 F51 W52	Q23-C108 VanDerWaalsContact CG-SG 3.5Å; C40-C108 HydrophobicContact CB-CB 3.47Å; C40-C108 VanDerWaalsContact CB-CB 3.47Å; C40-C108 WeakPolarHBondContact CB-SG 3.47Å; C40-C108 WeakPolarHBondContact SG-CB 3.2Å; C40-C108 CovalentContact SG-SG 2.03Å; C40-C108 PolarHBondContact SG-SG 3.32Å; F51-C108 WeakPolarHBondContact O-CA 3.39Å; W52-C108 HydrophobicContact CD2-CB 3.84Å; W52-C108 HydrophobicContact CE3-CB 3.93Å; W52-C108 HydrophobicContact CH2-CB 3.82Å; W52-C108 HydrophobicContact CZ2-CB 3.71Å; W52-C108 HydrophobicContact CZ3-CB 3.91Å
109	A	95.9	Very high	93.4	Very high	33 Å²	33	63.9 Å²	63.9	27%	0.273	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	153.3	175.4	0	0	0	0	0	111.2	F51 Y53	F51-A109 HydrophobicContact CB-CB 4.29Å; F51-A109 HydrophobicContact CD2-CB 4.46Å; F51-A109 PolarHBondContact N-O 2.92Å; F51-A109 PolarHBondContact O-N 2.77Å; Y53-A109 HydrophobicContact CE2-CB 4.22Å
110	V	94.2	Very high	93.1	Very high	25 Å²	25	61.8 Å²	61.8	15%	0.152	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.5	172	72.7	0	0	0	0	108.7	Q19 V21 Y42 Y44 P48 S49 L50	Q19-V110 HydrophobicContact CB-CG1 4.33Å; V21-V110 HydrophobicContact CG1-CB 3.85Å; V21-V110 HydrophobicContact CG1-CG1 3.71Å; Y42-V110 HydrophobicContact CD2-CG2 4.14Å; Y42-V110 HydrophobicContact CG-CG2 4.35Å; Y44-V110 HydrophobicContact CD2-CG2 3.73Å; Y44-V110 HydrophobicContact CG-CG2 4.14Å; P48-V110 HydrophobicContact CB-CG2 3.54Å; S49-V110 WeakPolarHBondContact O-CA 3.47Å; L50-V110 HydrophobicContact CD2-CB 4.16Å; L50-V110 HydrophobicContact CD2-CG2 3.84Å
111	G	90.8	Very high	92.9	Very high	15 Å²	15	58.2 Å²	58.2	16%	0.155	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	179.3	173.5	0	0	0	0	0	112.7	S49	S49-G111 WeakPolarHBondContact CB-O 3.18Å; S49-G111 PolarHBondContact N-O 2.87Å; S49-G111 PolarHBondContact O-N 2.85Å
112	D	85.7	Confident	92.8	Very high	100 Å²	100	55.7 Å²	55.7	54%	0.535	31%	0.307	S	S	.	.			trans	-67.3	157.3	176	-68.5	30.6	0	0	0	111.5	Q19 Y44 S49	Q19-D112 PolarHBondContact NE2-OD1 2.74Å; Y44-D112 WeakPolarHBondContact CE2-OD1 3.48Å; Y44-D112 VanDerWaalsContact OH-CA 3.25Å; Y44-D112 WeakPolarHBondContact OH-CA 3.4Å; Y44-D112 PolarHBondContact OH-OD1 2.94Å; S49-D112 WeakPolarHBondContact CB-O 3.43Å; S49-D112 PolarHBondContact OG-O 2.91Å
113	R	72.1	Confident	92.5	Very high	147 Å²	147	59.7 Å²	59.7	56%	0.555	33%	0.33	S	S	*	.			trans	-84.5	0	166.6	-89.7	-175.4	179.6	62.7	0.2	110.6	V47 P48 S49 L68	V47-R113 PolarHBondContact O-NH1 3.18Å; P48-R113 PolarHBondContact O-NH1 3.18Å; S49-R113 WeakPolarHBondContact OG-CA 3.33Å; S49-R113 WeakPolarHBondContact OG-CG 3.25Å; L68-R113 PolarHBondContact O-NE 3.19Å; L68-R113 PolarHBondContact O-NH2 3.18Å

Retrieved 113 of 113 residues in 55.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).