A0A5K4F5G3_SCHMA Loading...

Hypotheticial protein

AlphaFold DB , UniProt , Accession A0A5K4F5G3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 101 aa.

						>A0A5K4F5G3_SCHMA|A0A5K4F5G3
MSDTLYKTTGILFSTVILLSFKNINTSAFIMENQSPSLLKRSWVYSDTYNCEKIYSCFNTRQCRQRYNSPNYFCANIYPCGSSCAPLDYHGHLRSYELATE
					

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	42	Very low	48.9	Very low	240 Å²	240	127.5 Å²	127.5	100%	1.182	68%	0.678	S	S	*	*				0	101	0	-79.5	152.6	140.6	0	0	107
2	S	48.5	Very low	49.2	Very low	102 Å²	102	126.4 Å²	126.4	71%	0.713	67%	0.671	S	S	*	*			trans	162.5	-10.1	154.7	-84.2	0	0	0	0	114
3	D	43.4	Very low	49.5	Very low	142 Å²	142	128.9 Å²	128.9	76%	0.759	67%	0.673	S	S	*	*	H	α-helix	trans	-85	-27.7	179.6	-73.5	-81.3	0	0	0	115	L5	D3-L5 VanDerWaalsContact C-N 3.34Å; D3-L5 PolarHBondContact O-N 2.71Å
4	T	53	Low	49.7	Very low	119 Å²	119	124.5 Å²	124.5	73%	0.73	66%	0.659	S	S	*	*	H	α-helix	trans	-73	-27.2	-172.9	-27.1	0	0	0	0	113	T8	T4-T8 PolarHBondContact O-OG1 3.1Å
5	L	48.6	Very low	49.9	Very low	138 Å²	138	120.9 Å²	120.9	72%	0.723	64%	0.644	S	S	*	*	H	α-helix	trans	-74.4	-33.6	-179.6	-99.5	148.6	0	0	0	112.6	D3 T9	D3-L5 VanDerWaalsContact C-N 3.34Å; D3-L5 PolarHBondContact O-N 2.71Å; L5-T9 PolarHBondContact O-N 2.84Å; L5-T9 PolarHBondContact O-OG1 3.18Å
6	Y	49.7	Very low	50.1	Low	195 Å²	195	119.1 Å²	119.1	77%	0.765	64%	0.639	S	S	*	*	H	α-helix	trans	-73.9	-30.9	-179.3	-159.6	-95.9	0	0	0	112.3	T9 G10	Y6-T9 PolarHBondContact O-OG1 2.84Å; Y6-G10 PolarHBondContact O-N 3.2Å
7	K	46.8	Very low	50.4	Low	168 Å²	168	117.7 Å²	117.7	73%	0.73	63%	0.63	S	S	*	*	H	α-helix	trans	-67.6	-36.6	176.3	-100.1	-179.9	175.6	177.8	0	112.6	I11	K7-I11 WeakPolarHBondContact O-CD1 3.12Å; K7-I11 WeakPolarHBondContact O-CG1 3.44Å; K7-I11 PolarHBondContact O-N 3.03Å
8	T	52.8	Low	50.6	Low	84 Å²	84	118.5 Å²	118.5	52%	0.515	63%	0.633	S	S	.	*	H	α-helix	trans	-76.3	-34.9	-178.3	-1.7	0	0	0	0	112.9	T4	T4-T8 PolarHBondContact O-OG1 3.1Å
9	T	51.1	Low	50.7	Low	74 Å²	74	119.3 Å²	119.3	45%	0.454	64%	0.636	S	S	.	*	H	α-helix	trans	-73.2	-30.7	175.4	33.6	0	0	0	0	113.1	L5 Y6 I11 L12 F13	L5-T9 PolarHBondContact O-N 2.84Å; L5-T9 PolarHBondContact O-OG1 3.18Å; Y6-T9 PolarHBondContact O-OG1 2.84Å; T9-I11 PolarHBondContact O-N 3.01Å; T9-L12 PolarHBondContact O-N 2.69Å; T9-F13 PolarHBondContact O-N 2.85Å
10	G	49.9	Very low	50.7	Low	32 Å²	32	116.7 Å²	116.7	33%	0.33	63%	0.628	S	S	.	*	H	α-helix	trans	-66.3	-33.7	174.9	0	0	0	0	0	114.1	Y6 S14	Y6-G10 PolarHBondContact O-N 3.2Å; G10-S14 PolarHBondContact O-N 2.91Å; G10-S14 VanDerWaalsContact O-N 3.17Å; G10-S14 PolarHBondContact O-OG 2.95Å
11	I	51.8	Low	50.7	Low	108 Å²	108	117.2 Å²	117.2	55%	0.554	63%	0.625	S	S	*	*	H	α-helix	trans	-68.3	-42.1	178.4	-63.8	164.3	0	0	0	110.5	K7 T9 F13 S14 T15	K7-I11 WeakPolarHBondContact O-CD1 3.12Å; K7-I11 WeakPolarHBondContact O-CG1 3.44Å; K7-I11 PolarHBondContact O-N 3.03Å; T9-I11 PolarHBondContact O-N 3.01Å; I11-F13 PolarHBondContact O-N 3.11Å; I11-S14 PolarHBondContact O-N 3.33Å; I11-T15 PolarHBondContact O-N 3.19Å; I11-T15 VanDerWaalsContact O-N 3.15Å; I11-T15 PolarHBondContact O-OG1 2.91Å
12	L	52.7	Low	51.1	Low	115 Å²	115	113.7 Å²	113.7	60%	0.602	60%	0.603	S	S	*	*	H	α-helix	trans	-62	-43.9	178	-80.6	159.3	0	0	0	111.7	T9 S14 T15 V16	T9-L12 PolarHBondContact O-N 2.69Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 3.18Å; L12-T15 PolarHBondContact O-N 3.38Å; L12-T15 PolarHBondContact O-OG1 3.11Å; L12-V16 PolarHBondContact O-N 2.8Å
13	F	52.9	Low	50.9	Low	159 Å²	159	114.3 Å²	114.3	70%	0.697	60%	0.598	S	S	*	*	H	α-helix	trans	-62.1	-38.3	176.2	-99.1	-88.5	0	0	0	112.8	T9 I11 T15 V16 I17	T9-F13 PolarHBondContact O-N 2.85Å; I11-F13 PolarHBondContact O-N 3.11Å; F13-T15 PolarHBondContact O-N 2.72Å; F13-V16 PolarHBondContact O-N 3.43Å; F13-I17 WeakPolarHBondContact O-CG1 3.5Å; F13-I17 PolarHBondContact O-N 2.74Å
14	S	52	Low	51.2	Low	67 Å²	67	112.4 Å²	112.4	47%	0.469	59%	0.587	S	S	.	*	H	α-helix	trans	-67.5	-36.9	179.9	-60.7	0	0	0	0	112.6	G10 I11 L12 I17 L18	G10-S14 PolarHBondContact O-N 2.91Å; G10-S14 VanDerWaalsContact O-N 3.17Å; G10-S14 PolarHBondContact O-OG 2.95Å; I11-S14 PolarHBondContact O-N 3.33Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 3.18Å; S14-I17 PolarHBondContact O-N 3.35Å; S14-L18 PolarHBondContact O-N 3.06Å
15	T	53.1	Low	50.7	Low	70 Å²	70	112 Å²	112	43%	0.429	58%	0.581	S	S	.	*	H	α-helix	trans	-67.8	-35.8	178.6	48	0	0	0	0	113.6	I11 L12 F13 I17 L18 L19	I11-T15 PolarHBondContact O-N 3.19Å; I11-T15 VanDerWaalsContact O-N 3.15Å; I11-T15 PolarHBondContact O-OG1 2.91Å; L12-T15 PolarHBondContact O-N 3.38Å; L12-T15 PolarHBondContact O-OG1 3.11Å; F13-T15 PolarHBondContact O-N 2.72Å; T15-I17 VanDerWaalsContact C-N 3.33Å; T15-I17 PolarHBondContact O-N 2.61Å; T15-L18 PolarHBondContact O-N 3.42Å; T15-L19 PolarHBondContact O-N 3.23Å
16	V	53.3	Low	50.5	Low	93 Å²	93	109 Å²	109	56%	0.564	57%	0.568	S	S	*	*	H	α-helix	trans	-67.3	-36.7	178.2	178.5	0	0	0	0	111.1	L12 F13 S20	L12-V16 PolarHBondContact O-N 2.8Å; F13-V16 PolarHBondContact O-N 3.43Å; V16-S20 PolarHBondContact O-N 2.87Å; V16-S20 PolarHBondContact O-OG 3.27Å
17	I	55.3	Low	50.3	Low	95 Å²	95	103 Å²	103	49%	0.487	56%	0.555	S	S	.	*	H	α-helix	trans	-66.4	-43.7	177.8	-62.9	167.5	0	0	0	110.7	F13 S14 T15 L19 S20 F21	F13-I17 WeakPolarHBondContact O-CG1 3.5Å; F13-I17 PolarHBondContact O-N 2.74Å; S14-I17 PolarHBondContact O-N 3.35Å; T15-I17 VanDerWaalsContact C-N 3.33Å; T15-I17 PolarHBondContact O-N 2.61Å; I17-L19 PolarHBondContact O-N 3.2Å; I17-S20 PolarHBondContact O-N 2.97Å; I17-F21 HydrophobicContact CG2-CD2 3.79Å; I17-F21 HydrophobicContact CG2-CE2 3.61Å; I17-F21 VanDerWaalsContact O-CD2 3.29Å; I17-F21 WeakPolarHBondContact O-CD2 2.96Å; I17-F21 PolarHBondContact O-N 2.88Å; I17-F21 VanDerWaalsContact O-N 3.15Å
18	L	54.2	Low	50.2	Low	132 Å²	132	97.8 Å²	97.8	69%	0.691	54%	0.543	S	S	*	.	H	α-helix	trans	-63.5	-38.1	178.7	-99.2	125.3	0	0	0	113.4	S14 T15 K22	S14-L18 PolarHBondContact O-N 3.06Å; T15-L18 PolarHBondContact O-N 3.42Å; L18-K22 PolarHBondContact O-N 3.32Å
19	L	51.7	Low	49.7	Very low	133 Å²	133	100.7 Å²	100.7	70%	0.696	55%	0.548	S	S	*	.	H	α-helix	trans	-68.2	-36.9	176	-92.7	131.8	0	0	0	112.3	T15 I17 K22 N23	T15-L19 PolarHBondContact O-N 3.23Å; I17-L19 PolarHBondContact O-N 3.2Å; L19-K22 PolarHBondContact O-N 2.86Å; L19-N23 PolarHBondContact O-N 3.19Å
20	S	50.7	Low	49.2	Very low	68 Å²	68	101.6 Å²	101.6	48%	0.476	55%	0.55	S	S	.	.	H	α-helix	trans	-65.3	-40.2	175.9	-66.7	0	0	0	0	112.7	V16 I17 K22 N23 I24	V16-S20 PolarHBondContact O-N 2.87Å; V16-S20 PolarHBondContact O-OG 3.27Å; I17-S20 PolarHBondContact O-N 2.97Å; S20-K22 PolarHBondContact O-N 2.04Å; S20-N23 PolarHBondContact O-N 2.82Å; S20-I24 WeakPolarHBondContact O-CG1 3.43Å; S20-I24 PolarHBondContact O-N 3.36Å
21	F	51.4	Low	48.6	Very low	128 Å²	128	107.1 Å²	107.1	56%	0.561	57%	0.568	S	S	*	*	H	α-helix	trans	-68.2	-33.2	176.7	-82.3	-72.5	0	0	0	113.2	I17 N23 I24 N25	I17-F21 HydrophobicContact CG2-CD2 3.79Å; I17-F21 HydrophobicContact CG2-CE2 3.61Å; I17-F21 VanDerWaalsContact O-CD2 3.29Å; I17-F21 WeakPolarHBondContact O-CD2 2.96Å; I17-F21 PolarHBondContact O-N 2.88Å; I17-F21 VanDerWaalsContact O-N 3.15Å; F21-N23 VanDerWaalsContact C-N 3.26Å; F21-N23 PolarHBondContact O-N 3.4Å; F21-I24 HydrophobicContact CD1-CD1 4.46Å; F21-I24 PolarHBondContact O-N 3.02Å; F21-N25 PolarHBondContact O-N 3.24Å
22	K	49.4	Very low	48	Very low	165 Å²	165	109.4 Å²	109.4	72%	0.717	58%	0.577	S	S	*	*	H	α-helix	trans	-65.8	-31.6	176.5	-126.7	-179.9	-180	-175.6	0	112.2	L18 L19 S20 T26	L18-K22 PolarHBondContact O-N 3.32Å; L19-K22 PolarHBondContact O-N 2.86Å; S20-K22 PolarHBondContact O-N 2.04Å; K22-T26 PolarHBondContact O-N 3.11Å; K22-T26 PolarHBondContact O-OG1 2.98Å
23	N	44.5	Very low	47.4	Very low	115 Å²	115	110.3 Å²	110.3	62%	0.615	58%	0.582	S	S	*	*	H	α-helix	trans	-77.3	-31.3	176.2	-119.5	8.7	0	0	0	113.2	L19 S20 F21 T26 S27	L19-N23 PolarHBondContact O-N 3.19Å; S20-N23 PolarHBondContact O-N 2.82Å; F21-N23 VanDerWaalsContact C-N 3.26Å; F21-N23 PolarHBondContact O-N 3.4Å; N23-T26 PolarHBondContact O-N 3.47Å; N23-S27 PolarHBondContact O-N 3.14Å; N23-S27 VanDerWaalsContact O-N 3.15Å; N23-S27 PolarHBondContact O-OG 2.98Å
24	I	50	Low	46.7	Very low	103 Å²	103	110.1 Å²	110.1	53%	0.528	58%	0.584	S	S	.	*	H	α-helix	trans	-66.5	-42.2	174.5	-64.3	167.8	0	0	0	110.7	S20 F21 T26 S27 A28	S20-I24 WeakPolarHBondContact O-CG1 3.43Å; S20-I24 PolarHBondContact O-N 3.36Å; F21-I24 HydrophobicContact CD1-CD1 4.46Å; F21-I24 PolarHBondContact O-N 3.02Å; I24-T26 VanDerWaalsContact C-N 3.33Å; I24-T26 PolarHBondContact O-N 2.9Å; I24-S27 PolarHBondContact O-N 3.2Å; I24-A28 WeakPolarHBondContact O-CB 3.4Å; I24-A28 PolarHBondContact O-N 3.26Å
25	N	42.4	Very low	46.1	Very low	111 Å²	111	110.6 Å²	110.6	59%	0.594	59%	0.587	S	S	*	*	H	α-helix	trans	-71.3	-28.1	179.6	-72	-13.5	0	0	0	113.2	F21 F29	F21-N25 PolarHBondContact O-N 3.24Å; N25-F29 PolarHBondContact O-N 3.41Å; N25-F29 VanDerWaalsContact O-N 3.11Å
26	T	44.8	Very low	45.6	Very low	75 Å²	75	113 Å²	113	46%	0.46	60%	0.604	S	S	.	*	H	α-helix	trans	-72.7	-39.8	175.5	-52.3	0	0	0	0	110.5	K22 N23 I24 F29 I30	K22-T26 PolarHBondContact O-N 3.11Å; K22-T26 PolarHBondContact O-OG1 2.98Å; N23-T26 PolarHBondContact O-N 3.47Å; I24-T26 VanDerWaalsContact C-N 3.33Å; I24-T26 PolarHBondContact O-N 2.9Å; T26-F29 PolarHBondContact O-N 3.45Å; T26-I30 HydrophobicContact CG2-CD1 4.03Å; T26-I30 VanDerWaalsContact O-CG1 3.31Å; T26-I30 WeakPolarHBondContact O-CG1 2.95Å; T26-I30 PolarHBondContact O-N 3.35Å
27	S	45.9	Very low	45	Very low	68 Å²	68	112.6 Å²	112.6	48%	0.476	61%	0.605	S	S	.	*	H	α-helix	trans	-68	-34.4	174.2	-58.7	0	0	0	0	112.8	N23 I24 F29 I30 M31	N23-S27 PolarHBondContact O-N 3.14Å; N23-S27 VanDerWaalsContact O-N 3.15Å; N23-S27 PolarHBondContact O-OG 2.98Å; I24-S27 PolarHBondContact O-N 3.2Å; S27-F29 VanDerWaalsContact C-N 3.34Å; S27-I30 PolarHBondContact O-N 2.98Å; S27-M31 WeakPolarHBondContact O-CB 3.28Å; S27-M31 PolarHBondContact O-N 3.22Å
28	A	44.2	Very low	44.4	Very low	58 Å²	58	115.7 Å²	115.7	48%	0.479	62%	0.622	S	S	.	*	H	α-helix	trans	-65.5	-38.3	174.3	0	0	0	0	0	111.7	I24 M31 E32	I24-A28 WeakPolarHBondContact O-CB 3.4Å; I24-A28 PolarHBondContact O-N 3.26Å; A28-M31 PolarHBondContact O-N 3.41Å; A28-E32 PolarHBondContact O-N 3.07Å
29	F	42.3	Very low	43.8	Very low	145 Å²	145	117 Å²	117	64%	0.636	63%	0.629	S	S	*	*	H	α-helix	trans	-74.5	-29	176.8	-161.1	-101.3	0	0	0	113.1	N25 T26 S27	N25-F29 PolarHBondContact O-N 3.41Å; N25-F29 VanDerWaalsContact O-N 3.11Å; T26-F29 PolarHBondContact O-N 3.45Å; S27-F29 VanDerWaalsContact C-N 3.34Å
30	I	39.7	Very low	43.6	Very low	94 Å²	94	116.6 Å²	116.6	48%	0.482	62%	0.622	S	S	.	*	H	α-helix	trans	-78.4	-29.5	174.4	-62.7	170.6	0	0	0	111.4	T26 S27 E32 N33 Q34	T26-I30 HydrophobicContact CG2-CD1 4.03Å; T26-I30 VanDerWaalsContact O-CG1 3.31Å; T26-I30 WeakPolarHBondContact O-CG1 2.95Å; T26-I30 PolarHBondContact O-N 3.35Å; S27-I30 PolarHBondContact O-N 2.98Å; I30-E32 VanDerWaalsContact C-N 3.33Å; I30-N33 PolarHBondContact O-N 3.24Å; I30-N33 VanDerWaalsContact O-N 3.16Å; I30-Q34 PolarHBondContact O-N 2.75Å
31	M	37.4	Very low	43.4	Very low	147 Å²	147	119 Å²	119	72%	0.724	62%	0.62	S	S	*	*	H	α-helix	trans	-71.5	-23.9	172.7	-81.9	-178.3	73.8	0	0	113.5	S27 A28 N33	S27-M31 WeakPolarHBondContact O-CB 3.28Å; S27-M31 PolarHBondContact O-N 3.22Å; A28-M31 PolarHBondContact O-N 3.41Å; M31-N33 PolarHBondContact O-N 2.94Å
32	E	39.3	Very low	43.3	Very low	157 Å²	157	115.4 Å²	115.4	73%	0.734	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-20.8	169.9	-150.4	175.6	112.2	0	0	112.1	A28 I30	A28-E32 PolarHBondContact O-N 3.07Å; I30-E32 VanDerWaalsContact C-N 3.33Å
33	N	41.7	Very low	43.3	Very low	134 Å²	134	108.9 Å²	108.9	72%	0.717	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.5	-7	179.4	-98.5	4.9	0	0	0	115.7	I30 M31	I30-N33 PolarHBondContact O-N 3.24Å; I30-N33 VanDerWaalsContact O-N 3.16Å; M31-N33 PolarHBondContact O-N 2.94Å
34	Q	36.9	Very low	43.7	Very low	154 Å²	154	107.1 Å²	107.1	72%	0.72	58%	0.575	S	S	*	*	S	Bend	trans	-121.5	28.5	-176.4	-73	-167.7	-1.1	0	0	114.7	I30	I30-Q34 PolarHBondContact O-N 2.75Å
35	S	39.5	Very low	44.1	Very low	78 Å²	78	103.2 Å²	103.2	55%	0.545	55%	0.554	S	S	.	*			trans	-138.4	78.2	158.3	-74.4	0	0	0	0	110.7	S37	S35-S37 PolarHBondContact O-N 2.75Å
36	P	42.7	Very low	44.7	Very low	120 Å²	120	101 Å²	101	78%	0.779	55%	0.547	S	S	*	.			trans	-70.3	15.4	161.1	32.5	-33.4	0	0	0	111.6	L38	P36-L38 PolarHBondContact O-N 3.21Å
37	S	40.9	Very low	45.3	Very low	85 Å²	85	100.7 Å²	100.7	59%	0.594	54%	0.543	S	S	*	.	S	Bend	trans	-67.3	97.1	176.6	60.4	0	0	0	0	109.5	S35	S35-S37 PolarHBondContact O-N 2.75Å
38	L	43.1	Very low	45.7	Very low	159 Å²	159	103.6 Å²	103.6	83%	0.832	56%	0.557	S	S	*	*			trans	73.1	35.7	157.2	-52.2	157.3	0	0	0	115.7	P36 K40	P36-L38 PolarHBondContact O-N 3.21Å; L38-K40 PolarHBondContact O-N 3.39Å
39	L	42.4	Very low	46.5	Very low	161 Å²	161	103.8 Å²	103.8	84%	0.843	55%	0.546	S	S	*	.			trans	-65.9	75.2	149.1	-76.3	172.3	0	0	0	107.5	R41	L39-R41 PolarHBondContact O-N 2.73Å
40	K	45.5	Very low	47.7	Very low	124 Å²	124	100.8 Å²	100.8	54%	0.539	54%	0.537	S	S	.	.			trans	-62.4	85.7	171.6	-177.6	-174.9	176.8	-167.7	0	106	L38 S42 F58	L38-K40 PolarHBondContact O-N 3.39Å; K40-S42 PolarHBondContact O-N 2.64Å; K40-S42 PolarHBondContact O-OG 3.36Å; K40-F58 WeakPolarHBondContact CE-O 3.26Å; K40-F58 PolarHBondContact NZ-O 2.71Å
41	R	46.5	Very low	49.1	Very low	119 Å²	119	98.7 Å²	98.7	45%	0.449	53%	0.53	S	S	.	.			trans	-59.6	105.2	-178.6	-165.6	179.3	-169.7	137.4	-13.2	107.7	L39 E97	L39-R41 PolarHBondContact O-N 2.73Å; R41-E97 VanDerWaalsContact CZ-CD 3.48Å; R41-E97 IonicContact CZ-OE2 3.05Å; R41-E97 IonicContact NH1-OE1 3.42Å; R41-E97 PolarHBondContact NH1-OE1 3.29Å; R41-E97 IonicContact NH1-OE2 2.61Å; R41-E97 PolarHBondContact NH1-OE2 3.41Å; R41-E97 IonicContact NH2-OE2 3.91Å; R41-E97 PolarHBondContact NH2-OE2 3.34Å
42	S	49.6	Very low	50.7	Low	52 Å²	52	99.8 Å²	99.8	36%	0.364	53%	0.533	S	S	.	.			trans	-85.2	125	-179.2	-59.1	0	0	0	0	110	K40 V44 N76	K40-S42 PolarHBondContact O-N 2.64Å; K40-S42 PolarHBondContact O-OG 3.36Å; S42-V44 PolarHBondContact O-N 2.97Å; S42-N76 WeakPolarHBondContact CB-ND2 3.47Å; S42-N76 PolarHBondContact OG-ND2 2.03Å
43	W	51	Low	52.1	Low	27 Å²	27	100.7 Å²	100.7	10%	0.102	54%	0.535	C	S	.	.			trans	-69.5	107.7	174.8	-54.1	86.5	0	0	0	109.2	F73 C74 A75 N76 L93 S95 Y96 E97	W43-F73 HydrophobicContact CB-CE2 4.14Å; W43-F73 AromaticContact CD1-CD2 3.97Å; W43-F73 HydrophobicContact CD2-CD2 4.43Å; W43-F73 HydrophobicContact CD2-CE2 4.14Å; W43-F73 HydrophobicContact CG-CD2 4.17Å; W43-F73 AromaticContact CG-CE2 3.89Å; W43-F73 HydrophobicContact CG-CE2 3.89Å; W43-C74 VanDerWaalsContact CD1-O 3.31Å; W43-A75 HydrophobicContact CB-CB 3.68Å; W43-A75 HydrophobicContact CG-CB 4.43Å; W43-A75 CarbonylContact O-C 3.44Å; W43-N76 CarbonylContact O-C 3.5Å; W43-N76 WeakPolarHBondContact O-CA 3.3Å; W43-N76 PolarHBondContact O-N 3.31Å; W43-L93 HydrophobicContact CB-CD1 4.04Å; W43-L93 HydrophobicContact CB-CD2 4.11Å; W43-L93 HydrophobicContact CD2-CD1 4.35Å; W43-L93 HydrophobicContact CE3-CB 4.38Å; W43-L93 HydrophobicContact CE3-CD1 3.87Å; W43-L93 HydrophobicContact CG-CD1 4.45Å; W43-S95 WeakPolarHBondContact CZ3-O 3.29Å; W43-Y96 HydrophobicContact CE3-CD1 4.35Å; W43-Y96 AromaticContact CH2-CD1 3.99Å; W43-Y96 HydrophobicContact CH2-CD1 3.99Å; W43-Y96 HydrophobicContact CH2-CG 4.5Å; W43-Y96 VanDerWaalsContact CZ3-CA 3.5Å; W43-Y96 AromaticContact CZ3-CD1 3.34Å; W43-Y96 HydrophobicContact CZ3-CD1 3.34Å; W43-Y96 AromaticContact CZ3-CE1 3.94Å; W43-Y96 HydrophobicContact CZ3-CE1 3.94Å; W43-Y96 AromaticContact CZ3-CG 3.83Å; W43-Y96 HydrophobicContact CZ3-CG 3.83Å; W43-E97 WeakPolarHBondContact CZ2-O 3.42Å
44	V	52.8	Low	53.7	Low	79 Å²	79	95.2 Å²	95.2	48%	0.479	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	116.5	179	-176.6	0	0	0	0	110.2	S42 N76	S42-V44 PolarHBondContact O-N 2.97Å; V44-N76 CarbonylContact C-O 3.44Å; V44-N76 VanDerWaalsContact CA-O 3.23Å; V44-N76 WeakPolarHBondContact CA-O 3.3Å; V44-N76 HydrophobicContact CG2-CB 4.29Å
45	Y	58.6	Low	55.8	Low	20 Å²	20	93.1 Å²	93.1	8%	0.078	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.3	172.8	-169.6	-100.6	0	0	0	110	D47 Y49 N76 I77 Y78 Y89 H92 L93	Y45-D47 HydrophobicContact CD1-CB 4.3Å; Y45-D47 WeakPolarHBondContact CD1-O 3.19Å; Y45-D47 HydrophobicContact CE1-CB 3.49Å; Y45-D47 VanDerWaalsContact CE1-CB 3.49Å; Y45-D47 WeakPolarHBondContact CE1-O 3.19Å; Y45-D47 PolarHBondContact OH-OD2 2.04Å; Y45-Y49 HydrophobicContact CD1-CD2 4.36Å; Y45-Y49 AromaticContact CE1-CD2 3.73Å; Y45-Y49 HydrophobicContact CE1-CD2 3.73Å; Y45-N76 PolarHBondContact N-O 2.81Å; Y45-I77 HydrophobicContact CD1-CG2 3.83Å; Y45-I77 HydrophobicContact CG-CG2 4.21Å; Y45-Y78 VanDerWaalsContact O-CB 3.32Å; Y45-Y78 WeakPolarHBondContact O-CB 3.47Å; Y45-Y78 PolarHBondContact O-N 3.39Å; Y45-Y89 HydrophobicContact CE2-CD1 4.14Å; Y45-H92 HydrophobicContact CD2-CB 4.23Å; Y45-H92 HydrophobicContact CE2-CB 3.54Å; Y45-L93 HydrophobicContact CD2-CD2 3.83Å; Y45-L93 HydrophobicContact CD2-CG 4.4Å; Y45-L93 HydrophobicContact CG-CD2 4.29Å
46	S	54.3	Low	58	Low	64 Å²	64	94.2 Å²	94.2	45%	0.448	50%	0.499	S	S	.	.			trans	-95	-19.7	-173.5	54.7	0	0	0	0	115.3
47	D	56.5	Low	60	Low	70 Å²	70	88.8 Å²	88.8	37%	0.374	46%	0.464	S	S	.	.	S	Bend	trans	-86.3	143.5	-175.4	-50.9	-30.5	0	0	0	110.1	Y45 Y49 H92	Y45-D47 HydrophobicContact CD1-CB 4.3Å; Y45-D47 WeakPolarHBondContact CD1-O 3.19Å; Y45-D47 HydrophobicContact CE1-CB 3.49Å; Y45-D47 VanDerWaalsContact CE1-CB 3.49Å; Y45-D47 WeakPolarHBondContact CE1-O 3.19Å; Y45-D47 PolarHBondContact OH-OD2 2.04Å; D47-Y49 PolarHBondContact O-N 2.73Å; D47-H92 IonicContact OD2-ND1 2.72Å
48	T	55	Low	62.1	Low	128 Å²	128	92 Å²	92	79%	0.785	47%	0.468	S	S	*	.			trans	-61.1	99.2	176.9	38.2	0	0	0	0	110.1
49	Y	60.6	Low	64	Low	63 Å²	63	87.8 Å²	87.8	25%	0.247	45%	0.446	C	S	.	.			trans	-89.7	143.1	177.6	-150	-78.9	0	0	0	110.6	Y45 D47 C51 I54 I77 Y89	Y45-Y49 HydrophobicContact CD1-CD2 4.36Å; Y45-Y49 AromaticContact CE1-CD2 3.73Å; Y45-Y49 HydrophobicContact CE1-CD2 3.73Å; D47-Y49 PolarHBondContact O-N 2.73Å; Y49-C51 PolarHBondContact O-N 3.37Å; Y49-C51 VanDerWaalsContact O-N 3.14Å; Y49-I54 HydrophobicContact CD1-CD1 3.03Å; Y49-I54 HydrophobicContact CD1-CG1 3.56Å; Y49-I54 HydrophobicContact CE1-CD1 3.4Å; Y49-I54 VanDerWaalsContact CE1-CD1 3.4Å; Y49-I54 HydrophobicContact CE1-CG1 3.47Å; Y49-I54 VanDerWaalsContact CE1-CG1 3.47Å; Y49-I54 HydrophobicContact CG-CD1 3.73Å; Y49-I77 HydrophobicContact CD2-CG2 4.42Å; Y49-I77 HydrophobicContact CG-CG2 4.04Å; Y49-Y89 HydrophobicContact CD2-CE1 4.5Å; Y49-Y89 HydrophobicContact CE2-CD1 4.06Å; Y49-Y89 AromaticContact CE2-CE1 3.48Å; Y49-Y89 HydrophobicContact CE2-CE1 3.48Å; Y49-Y89 VanDerWaalsContact CE2-CE1 3.48Å; Y49-Y89 PolarHBondContact OH-OH 3.48Å
50	N	68.1	Low	66.1	Low	81 Å²	81	82.1 Å²	82.1	43%	0.433	42%	0.418	S	S	.	.			trans	-73.2	105.2	170.8	-176	-6.9	0	0	0	109.9	E52	N50-E52 PolarHBondContact ND2-OE2 3.24Å; N50-E52 VanDerWaalsContact ND2-OE2 3.07Å; N50-E52 PolarHBondContact O-N 3.4Å; N50-E52 VanDerWaalsContact OD1-CB 3.3Å; N50-E52 WeakPolarHBondContact OD1-CB 3.31Å; N50-E52 VanDerWaalsContact OD1-CG 3.28Å; N50-E52 WeakPolarHBondContact OD1-CG 3.2Å; N50-E52 PolarHBondContact OD1-N 2.95Å; N50-E52 PolarHBondContact OD1-OE2 3.18Å
51	C	69	Low	68.1	Low	51 Å²	51	84.7 Å²	84.7	35%	0.345	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-64.1	-18.6	-178.1	-53.1	0	0	0	0	114.4	Y49 K53 I54 C80	Y49-C51 PolarHBondContact O-N 3.37Å; Y49-C51 VanDerWaalsContact O-N 3.14Å; C51-K53 PolarHBondContact O-N 3.15Å; C51-I54 PolarHBondContact O-N 3.02Å; C51-C80 WeakPolarHBondContact CA-SG 3.39Å; C51-C80 HydrophobicContact CB-CB 3.74Å; C51-C80 WeakPolarHBondContact CB-SG 3.09Å; C51-C80 WeakPolarHBondContact SG-CA 3.25Å; C51-C80 WeakPolarHBondContact SG-CB 3.34Å; C51-C80 PolarHBondContact SG-N 3.15Å; C51-C80 VanDerWaalsContact SG-N 3.4Å; C51-C80 CovalentContact SG-SG 2.04Å; C51-C80 PolarHBondContact SG-SG 3.45Å
52	E	70.2	Confident	70	Confident	170 Å²	170	82.6 Å²	82.6	79%	0.794	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-62.1	-26.9	-177.7	-65.5	179	132.9	0	0	113.2	N50	N50-E52 PolarHBondContact ND2-OE2 3.24Å; N50-E52 VanDerWaalsContact ND2-OE2 3.07Å; N50-E52 PolarHBondContact O-N 3.4Å; N50-E52 VanDerWaalsContact OD1-CB 3.3Å; N50-E52 WeakPolarHBondContact OD1-CB 3.31Å; N50-E52 VanDerWaalsContact OD1-CG 3.28Å; N50-E52 WeakPolarHBondContact OD1-CG 3.2Å; N50-E52 PolarHBondContact OD1-N 2.95Å; N50-E52 PolarHBondContact OD1-OE2 3.18Å
53	K	69.8	Low	71.7	Confident	175 Å²	175	80.1 Å²	80.1	76%	0.761	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-100.3	1.6	-176.2	-63.8	-172.6	-179.3	-179.5	0	113.8	C51	C51-K53 PolarHBondContact O-N 3.15Å
54	I	74.4	Confident	73.6	Confident	19 Å²	19	82.7 Å²	82.7	10%	0.097	41%	0.412	C	S	.	.			trans	-111.4	131.2	-174.4	-32.1	176.4	0	0	0	111	Y49 C51 I77 C80 S83 C84	Y49-I54 HydrophobicContact CD1-CD1 3.03Å; Y49-I54 HydrophobicContact CD1-CG1 3.56Å; Y49-I54 HydrophobicContact CE1-CD1 3.4Å; Y49-I54 VanDerWaalsContact CE1-CD1 3.4Å; Y49-I54 HydrophobicContact CE1-CG1 3.47Å; Y49-I54 VanDerWaalsContact CE1-CG1 3.47Å; Y49-I54 HydrophobicContact CG-CD1 3.73Å; C51-I54 PolarHBondContact O-N 3.02Å; I54-I77 HydrophobicContact CD1-CB 4.49Å; I54-I77 HydrophobicContact CD1-CD1 3.76Å; I54-I77 HydrophobicContact CD1-CG2 4.07Å; I54-I77 HydrophobicContact CG2-CD1 4.08Å; I54-C80 HydrophobicContact CD1-CB 4.33Å; I54-S83 VanDerWaalsContact CG2-CB 3.43Å; I54-C84 WeakPolarHBondContact CG2-O 3.46Å
55	Y	81.4	Confident	75.3	Confident	110 Å²	110	84.8 Å²	84.8	43%	0.431	42%	0.417	S	S	.	.			trans	-79.6	134.1	172.5	-69	-62.4	0	0	0	111.7	R66 Y67 S83 C84	Y55-R66 HydrophobicContact CD2-CG 3.87Å; Y55-R66 HydrophobicContact CE2-CG 4.2Å; Y55-R66 HydrophobicContact CG-CG 4.37Å; Y55-R66 PolarHBondContact OH-NH2 2.88Å; Y55-Y67 HydrophobicContact CD2-CE1 4.3Å; Y55-Y67 AromaticContact CD2-CE2 3.81Å; Y55-Y67 HydrophobicContact CD2-CE2 3.81Å; Y55-Y67 AromaticContact CD2-CZ 3.53Å; Y55-Y67 WeakPolarHBondContact CD2-OH 3.36Å; Y55-Y67 HydrophobicContact CE2-CE1 4.33Å; Y55-Y67 AromaticContact CE2-CZ 4Å; Y55-S83 CarbonylContact O-C 3.57Å; Y55-S83 WeakPolarHBondContact O-CA 3.46Å; Y55-S83 WeakPolarHBondContact O-CB 3.42Å; Y55-C84 PolarHBondContact O-N 3.15Å
56	S	86.4	Confident	76.7	Confident	101 Å²	101	91.4 Å²	91.4	71%	0.706	44%	0.441	S	S	*	.	B	Isolated β-bridge	trans	-65.7	144.4	168.6	-51.9	0	0	0	0	111.3	S82	S56-S82 CarbonylContact C-O 3.55Å; S56-S82 VanDerWaalsContact CA-O 3.24Å; S56-S82 WeakPolarHBondContact CA-O 3.45Å
57	C	84.3	Confident	78.2	Confident	6 Å²	6	91.5 Å²	91.5	4%	0.041	43%	0.433	C	S	.	.			trans	-142.5	152.8	-176.6	59.5	0	0	0	0	112.1	C63 C74 S82 S83 C84	C57-C63 WeakPolarHBondContact CB-SG 3.47Å; C57-C74 VanDerWaalsContact C-SG 3.5Å; C57-C74 HydrophobicContact CB-CB 3.9Å; C57-C74 WeakPolarHBondContact CB-SG 3.48Å; C57-C74 PolarHBondContact O-SG 3.31Å; C57-C74 VanDerWaalsContact O-SG 3.36Å; C57-C74 WeakPolarHBondContact SG-CA 3.45Å; C57-C74 WeakPolarHBondContact SG-CB 3.26Å; C57-C74 CovalentContact SG-SG 2.03Å; C57-C74 PolarHBondContact SG-SG 3.21Å; C57-S82 PolarHBondContact N-O 3.47Å; C57-S82 WeakPolarHBondContact O-CB 2.98Å; C57-S82 PolarHBondContact O-OG 3.02Å; C57-S83 VanDerWaalsContact SG-CA 3.52Å; C57-S83 PolarHBondContact SG-O 3.49Å; C57-S83 VanDerWaalsContact SG-O 3.4Å; C57-C84 VanDerWaalsContact CB-SG 3.59Å
58	F	84.5	Confident	79.9	Confident	154 Å²	154	95.5 Å²	95.5	68%	0.675	45%	0.454	S	S	*	.	S	Bend	trans	-99.4	-23.8	168.4	-64.7	-81.5	0	0	0	112.4	K40	K40-F58 WeakPolarHBondContact CE-O 3.26Å; K40-F58 PolarHBondContact NZ-O 2.71Å
59	N	84.2	Confident	81.4	Confident	69 Å²	69	90.7 Å²	90.7	37%	0.369	43%	0.425	S	S	.	.	S	Bend	trans	-158.7	165.5	178	57.8	52.1	0	0	0	111.3	R61 Q62 C74	N59-R61 VanDerWaalsContact C-N 3.26Å; N59-R61 PolarHBondContact O-N 2.63Å; N59-R61 WeakPolarHBondContact OD1-CB 3.48Å; N59-R61 PolarHBondContact OD1-N 3.39Å; N59-Q62 PolarHBondContact O-N 2.71Å; N59-Q62 WeakPolarHBondContact OD1-CG 3.27Å; N59-Q62 PolarHBondContact OD1-N 3.31Å; N59-C74 WeakPolarHBondContact O-CB 3.33Å
60	T	85.8	Confident	82.7	Confident	42 Å²	42	91.8 Å²	91.8	26%	0.258	44%	0.44	S	S	.	.	H	α-helix	trans	-59.5	-35.3	-179.6	-68	0	0	0	0	112.6	Q62 C63 R64 F73 C74	T60-Q62 VanDerWaalsContact C-N 3.32Å; T60-Q62 PolarHBondContact O-N 3.32Å; T60-C63 WeakPolarHBondContact O-CB 3.21Å; T60-C63 PolarHBondContact O-N 3.34Å; T60-C63 VanDerWaalsContact O-N 3.11Å; T60-R64 HydrophobicContact CG2-CG 4.24Å; T60-R64 WeakPolarHBondContact O-CG 3.19Å; T60-R64 PolarHBondContact O-N 3Å; T60-F73 HydrophobicContact CG2-CB 3.88Å; T60-C74 PolarHBondContact OG1-N 3.19Å
61	R	87.3	Confident	83.5	Confident	178 Å²	178	91.8 Å²	91.8	67%	0.672	44%	0.44	S	S	*	.	H	α-helix	trans	-58.8	-42	178.2	-175.3	178.4	177.1	-179.1	1.9	112.2	N59 C63 R64 Q65	N59-R61 VanDerWaalsContact C-N 3.26Å; N59-R61 PolarHBondContact O-N 2.63Å; N59-R61 WeakPolarHBondContact OD1-CB 3.48Å; N59-R61 PolarHBondContact OD1-N 3.39Å; R61-C63 VanDerWaalsContact C-N 3.34Å; R61-C63 PolarHBondContact O-N 3.15Å; R61-R64 PolarHBondContact O-N 3.47Å; R61-Q65 WeakPolarHBondContact O-CB 3.48Å; R61-Q65 WeakPolarHBondContact O-CG 3.32Å; R61-Q65 PolarHBondContact O-N 3.11Å
62	Q	86.3	Confident	84.3	Confident	76 Å²	76	92 Å²	92	36%	0.355	43%	0.434	S	S	.	.	H	α-helix	trans	-61.3	-42	175.9	-74.3	177.6	-6.4	0	0	112.1	N59 T60 Q65 R66	N59-Q62 PolarHBondContact O-N 2.71Å; N59-Q62 WeakPolarHBondContact OD1-CG 3.27Å; N59-Q62 PolarHBondContact OD1-N 3.31Å; T60-Q62 VanDerWaalsContact C-N 3.32Å; T60-Q62 PolarHBondContact O-N 3.32Å; Q62-Q65 PolarHBondContact O-N 3.35Å; Q62-R66 VanDerWaalsContact O-CB 3.26Å; Q62-R66 WeakPolarHBondContact O-CB 3.48Å; Q62-R66 PolarHBondContact O-N 3.16Å
63	C	86.4	Confident	85.1	Confident	0 Å²	0	84.3 Å²	84.3	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-63.3	-46.7	177	-63.6	0	0	0	0	111.8	C57 T60 R61 Q65 R66 Y67 C84	C57-C63 WeakPolarHBondContact CB-SG 3.47Å; T60-C63 WeakPolarHBondContact O-CB 3.21Å; T60-C63 PolarHBondContact O-N 3.34Å; T60-C63 VanDerWaalsContact O-N 3.11Å; R61-C63 VanDerWaalsContact C-N 3.34Å; R61-C63 PolarHBondContact O-N 3.15Å; C63-Q65 VanDerWaalsContact C-N 3.33Å; C63-Q65 PolarHBondContact O-N 3.37Å; C63-R66 PolarHBondContact O-N 2.9Å; C63-Y67 WeakPolarHBondContact O-CD2 3.22Å; C63-Y67 PolarHBondContact O-N 3.33Å; C63-C84 WeakPolarHBondContact CA-SG 3.02Å; C63-C84 HydrophobicContact CB-CB 3.71Å; C63-C84 WeakPolarHBondContact CB-SG 3.32Å; C63-C84 WeakPolarHBondContact SG-CA 3.01Å; C63-C84 WeakPolarHBondContact SG-CB 3.29Å; C63-C84 CovalentContact SG-SG 2.04Å; C63-C84 PolarHBondContact SG-SG 3.43Å
64	R	89.1	Confident	85.8	Confident	81 Å²	81	76.6 Å²	76.6	31%	0.306	37%	0.366	S	S	.	.	H	α-helix	trans	-60.8	-42	178.4	-66.8	-179.1	175.4	172.2	-0.4	112.3	T60 R61 N68 S69 P70 Y72 E101	T60-R64 HydrophobicContact CG2-CG 4.24Å; T60-R64 WeakPolarHBondContact O-CG 3.19Å; T60-R64 PolarHBondContact O-N 3Å; R61-R64 PolarHBondContact O-N 3.47Å; R64-N68 CarbonylContact O-C 3.59Å; R64-N68 WeakPolarHBondContact O-CA 3.18Å; R64-N68 PolarHBondContact O-N 3.29Å; R64-S69 VanDerWaalsContact CA-O 3.27Å; R64-S69 WeakPolarHBondContact CA-O 3.32Å; R64-S69 WeakPolarHBondContact CB-O 2.99Å; R64-S69 WeakPolarHBondContact CG-O 3.38Å; R64-S69 PolarHBondContact O-N 3.44Å; R64-P70 PolarHBondContact NE-O 2.95Å; R64-Y72 WeakPolarHBondContact CG-O 3.02Å; R64-E101 IonicContact CZ-OE1 2.85Å; R64-E101 IonicContact NH1-OE1 3.58Å; R64-E101 PolarHBondContact NH1-OE1 3.01Å
65	Q	89.9	Confident	86.2	Confident	123 Å²	123	75.8 Å²	75.8	58%	0.575	36%	0.362	S	S	*	.	H	α-helix	trans	-66.5	-42.7	176.1	-73.3	177.1	-30	0	0	112.1	R61 Q62 C63 N68	R61-Q65 WeakPolarHBondContact O-CB 3.48Å; R61-Q65 WeakPolarHBondContact O-CG 3.32Å; R61-Q65 PolarHBondContact O-N 3.11Å; Q62-Q65 PolarHBondContact O-N 3.35Å; C63-Q65 VanDerWaalsContact C-N 3.33Å; C63-Q65 PolarHBondContact O-N 3.37Å; Q65-N68 PolarHBondContact O-N 3.49Å
66	R	87.4	Confident	86	Confident	158 Å²	158	73 Å²	73	60%	0.596	36%	0.355	S	S	*	.	H	α-helix	trans	-65.6	-43.1	-177.5	-178.9	60.9	176.8	179.1	4.2	112.7	Y55 Q62 C63	Y55-R66 HydrophobicContact CD2-CG 3.87Å; Y55-R66 HydrophobicContact CE2-CG 4.2Å; Y55-R66 HydrophobicContact CG-CG 4.37Å; Y55-R66 PolarHBondContact OH-NH2 2.88Å; Q62-R66 VanDerWaalsContact O-CB 3.26Å; Q62-R66 WeakPolarHBondContact O-CB 3.48Å; Q62-R66 PolarHBondContact O-N 3.16Å; C63-R66 PolarHBondContact O-N 2.9Å
67	Y	86.7	Confident	85.4	Confident	67 Å²	67	68.4 Å²	68.4	26%	0.263	32%	0.322	S	S	.	.	H	α-helix	trans	-91.6	-1	179.2	-71.4	-82.4	0	0	0	113.4	Y55 C63 S69 Y72 C84	Y55-Y67 HydrophobicContact CD2-CE1 4.3Å; Y55-Y67 AromaticContact CD2-CE2 3.81Å; Y55-Y67 HydrophobicContact CD2-CE2 3.81Å; Y55-Y67 AromaticContact CD2-CZ 3.53Å; Y55-Y67 WeakPolarHBondContact CD2-OH 3.36Å; Y55-Y67 HydrophobicContact CE2-CE1 4.33Å; Y55-Y67 AromaticContact CE2-CZ 4Å; C63-Y67 WeakPolarHBondContact O-CD2 3.22Å; C63-Y67 PolarHBondContact O-N 3.33Å; Y67-S69 PolarHBondContact O-N 3.25Å; Y67-Y72 HydrophobicContact CD1-CD1 4.28Å; Y67-Y72 AromaticContact CD1-CE1 3.78Å; Y67-Y72 HydrophobicContact CD1-CE1 3.78Å; Y67-Y72 HydrophobicContact CD1-CE2 4.1Å; Y67-Y72 AromaticContact CD1-CZ 3.68Å; Y67-Y72 AromaticContact CD2-CD1 3.46Å; Y67-Y72 HydrophobicContact CD2-CD1 3.46Å; Y67-Y72 VanDerWaalsContact CD2-CD1 3.46Å; Y67-Y72 HydrophobicContact CD2-CD2 4.27Å; Y67-Y72 AromaticContact CD2-CE1 3.8Å; Y67-Y72 HydrophobicContact CD2-CE1 3.8Å; Y67-Y72 AromaticContact CD2-CG 3.72Å; Y67-Y72 HydrophobicContact CD2-CG 3.72Å; Y67-Y72 HydrophobicContact CE1-CD1 4.44Å; Y67-Y72 AromaticContact CE1-CE1 3.79Å; Y67-Y72 HydrophobicContact CE1-CE1 3.79Å; Y67-Y72 AromaticContact CE2-CD1 3.68Å; Y67-Y72 HydrophobicContact CE2-CD1 3.68Å; Y67-Y72 AromaticContact CE2-CE1 3.83Å; Y67-Y72 HydrophobicContact CE2-CE1 3.83Å; Y67-Y72 HydrophobicContact CE2-CG 4.38Å; Y67-Y72 AromaticContact CG-CD1 3.78Å; Y67-Y72 HydrophobicContact CG-CD1 3.78Å; Y67-Y72 AromaticContact CG-CD2 3.93Å; Y67-Y72 HydrophobicContact CG-CD2 3.93Å; Y67-Y72 AromaticContact CG-CE1 3.76Å; Y67-Y72 HydrophobicContact CG-CE1 3.76Å; Y67-Y72 AromaticContact CG-CE2 3.92Å; Y67-Y72 HydrophobicContact CG-CE2 3.92Å; Y67-Y72 AromaticContact CG-CG 3.85Å; Y67-Y72 HydrophobicContact CG-CG 3.85Å; Y67-Y72 AromaticContact CG-CZ 3.83Å; Y67-Y72 AromaticContact CZ-CE1 3.8Å; Y67-C84 HydrophobicContact CD2-CB 4.41Å; Y67-C84 HydrophobicContact CE2-CB 3.69Å
68	N	90.8	Very high	84.8	Confident	153 Å²	153	75.4 Å²	75.4	82%	0.818	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.3	43.2	-172.4	-167.6	40.1	0	0	0	112.7	R64 Q65	R64-N68 CarbonylContact O-C 3.59Å; R64-N68 WeakPolarHBondContact O-CA 3.18Å; R64-N68 PolarHBondContact O-N 3.29Å; Q65-N68 PolarHBondContact O-N 3.49Å
69	S	87.5	Confident	84.3	Confident	27 Å²	27	71.5 Å²	71.5	19%	0.189	34%	0.339	C	S	.	.			trans	-147.1	132.6	-174.7	175	0	0	0	0	110.5	R64 Y67 N71	R64-S69 VanDerWaalsContact CA-O 3.27Å; R64-S69 WeakPolarHBondContact CA-O 3.32Å; R64-S69 WeakPolarHBondContact CB-O 2.99Å; R64-S69 WeakPolarHBondContact CG-O 3.38Å; R64-S69 PolarHBondContact O-N 3.44Å; Y67-S69 PolarHBondContact O-N 3.25Å; S69-N71 PolarHBondContact O-N 3.38Å; S69-N71 WeakPolarHBondContact OG-CB 2.96Å; S69-N71 PolarHBondContact OG-N 3.48Å
70	P	86.6	Confident	84	Confident	86 Å²	86	69.6 Å²	69.6	56%	0.558	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.1	174.3	30.4	-35.2	0	0	0	112	R64 Y72	R64-P70 PolarHBondContact NE-O 2.95Å; P70-Y72 PolarHBondContact O-N 2.92Å
71	N	86	Confident	83.7	Confident	81 Å²	81	69.2 Å²	69.2	43%	0.433	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	19.9	-175.3	-60.1	-15.9	0	0	0	113.5	S69 P86 L87	S69-N71 PolarHBondContact O-N 3.38Å; S69-N71 WeakPolarHBondContact OG-CB 2.96Å; S69-N71 PolarHBondContact OG-N 3.48Å; N71-P86 CarbonylContact O-C 3.34Å; N71-P86 WeakPolarHBondContact O-CA 3.46Å; N71-L87 HydrophobicContact CB-CD1 4.17Å; N71-L87 HydrophobicContact CB-CG 4.3Å; N71-L87 PolarHBondContact O-N 3.25Å
72	Y	86.3	Confident	83.6	Confident	57 Å²	57	62.5 Å²	62.5	22%	0.224	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142.8	173.5	-76.5	-100.4	0	0	0	110.4	R64 Y67 P70 A85 P86	R64-Y72 WeakPolarHBondContact CG-O 3.02Å; Y67-Y72 HydrophobicContact CD1-CD1 4.28Å; Y67-Y72 AromaticContact CD1-CE1 3.78Å; Y67-Y72 HydrophobicContact CD1-CE1 3.78Å; Y67-Y72 HydrophobicContact CD1-CE2 4.1Å; Y67-Y72 AromaticContact CD1-CZ 3.68Å; Y67-Y72 AromaticContact CD2-CD1 3.46Å; Y67-Y72 HydrophobicContact CD2-CD1 3.46Å; Y67-Y72 VanDerWaalsContact CD2-CD1 3.46Å; Y67-Y72 HydrophobicContact CD2-CD2 4.27Å; Y67-Y72 AromaticContact CD2-CE1 3.8Å; Y67-Y72 HydrophobicContact CD2-CE1 3.8Å; Y67-Y72 AromaticContact CD2-CG 3.72Å; Y67-Y72 HydrophobicContact CD2-CG 3.72Å; Y67-Y72 HydrophobicContact CE1-CD1 4.44Å; Y67-Y72 AromaticContact CE1-CE1 3.79Å; Y67-Y72 HydrophobicContact CE1-CE1 3.79Å; Y67-Y72 AromaticContact CE2-CD1 3.68Å; Y67-Y72 HydrophobicContact CE2-CD1 3.68Å; Y67-Y72 AromaticContact CE2-CE1 3.83Å; Y67-Y72 HydrophobicContact CE2-CE1 3.83Å; Y67-Y72 HydrophobicContact CE2-CG 4.38Å; Y67-Y72 AromaticContact CG-CD1 3.78Å; Y67-Y72 HydrophobicContact CG-CD1 3.78Å; Y67-Y72 AromaticContact CG-CD2 3.93Å; Y67-Y72 HydrophobicContact CG-CD2 3.93Å; Y67-Y72 AromaticContact CG-CE1 3.76Å; Y67-Y72 HydrophobicContact CG-CE1 3.76Å; Y67-Y72 AromaticContact CG-CE2 3.92Å; Y67-Y72 HydrophobicContact CG-CE2 3.92Å; Y67-Y72 AromaticContact CG-CG 3.85Å; Y67-Y72 HydrophobicContact CG-CG 3.85Å; Y67-Y72 AromaticContact CG-CZ 3.83Å; Y67-Y72 AromaticContact CZ-CE1 3.8Å; P70-Y72 PolarHBondContact O-N 2.92Å; Y72-A85 CarbonylContact C-O 3.38Å; Y72-A85 VanDerWaalsContact CA-O 3.31Å; Y72-A85 WeakPolarHBondContact CA-O 3.26Å; Y72-P86 HydrophobicContact CD1-CG 4.4Å; Y72-P86 HydrophobicContact CE1-CB 4.23Å; Y72-P86 HydrophobicContact CE1-CG 3.79Å
73	F	85.8	Confident	83.6	Confident	7 Å²	7	59 Å²	59	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	162	178.1	68.8	-76.7	0	0	0	111.2	W43 T60 A75 C84 A85 P86 L87 H90 L93	W43-F73 HydrophobicContact CB-CE2 4.14Å; W43-F73 AromaticContact CD1-CD2 3.97Å; W43-F73 HydrophobicContact CD2-CD2 4.43Å; W43-F73 HydrophobicContact CD2-CE2 4.14Å; W43-F73 HydrophobicContact CG-CD2 4.17Å; W43-F73 AromaticContact CG-CE2 3.89Å; W43-F73 HydrophobicContact CG-CE2 3.89Å; T60-F73 HydrophobicContact CG2-CB 3.88Å; F73-A75 HydrophobicContact CD2-CB 4.17Å; F73-A75 HydrophobicContact CE2-CB 3.67Å; F73-A75 HydrophobicContact CZ-CB 4.43Å; F73-C84 CarbonylContact O-C 3.58Å; F73-C84 VanDerWaalsContact O-CA 3.32Å; F73-C84 WeakPolarHBondContact O-CA 3.42Å; F73-A85 WeakPolarHBondContact CD1-O 3.39Å; F73-A85 HydrophobicContact CE1-CB 3.87Å; F73-A85 WeakPolarHBondContact CE1-O 3.43Å; F73-A85 HydrophobicContact CE2-CB 4.45Å; F73-A85 HydrophobicContact CZ-CB 3.79Å; F73-A85 PolarHBondContact N-O 3.25Å; F73-A85 PolarHBondContact O-N 3.33Å; F73-P86 VanDerWaalsContact CE1-O 3.3Å; F73-P86 WeakPolarHBondContact CE1-O 3.18Å; F73-L87 HydrophobicContact CB-CD2 4.32Å; F73-L87 HydrophobicContact CD1-CD2 3.63Å; F73-L87 HydrophobicContact CD1-CG 4.39Å; F73-L87 HydrophobicContact CE1-CD2 4.34Å; F73-L87 HydrophobicContact CG-CD2 4.26Å; F73-H90 AromaticContact CD1-CE1 3.94Å; F73-H90 AromaticContact CE1-CE1 3.65Å; F73-H90 AromaticContact CZ-CE1 3.81Å; F73-H90 AromaticContact CZ-ND1 3.91Å; F73-L93 HydrophobicContact CE1-CD1 4.45Å; F73-L93 HydrophobicContact CE2-CD1 3.41Å; F73-L93 VanDerWaalsContact CE2-CD1 3.41Å; F73-L93 HydrophobicContact CZ-CD1 3.23Å
74	C	84.4	Confident	83.5	Confident	13 Å²	13	59.2 Å²	59.2	9%	0.088	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.3	-179.3	-171.9	0	0	0	0	110.3	W43 C57 N59 T60 S82	W43-C74 VanDerWaalsContact CD1-O 3.31Å; C57-C74 VanDerWaalsContact C-SG 3.5Å; C57-C74 HydrophobicContact CB-CB 3.9Å; C57-C74 WeakPolarHBondContact CB-SG 3.48Å; C57-C74 PolarHBondContact O-SG 3.31Å; C57-C74 VanDerWaalsContact O-SG 3.36Å; C57-C74 WeakPolarHBondContact SG-CA 3.45Å; C57-C74 WeakPolarHBondContact SG-CB 3.26Å; C57-C74 CovalentContact SG-SG 2.03Å; C57-C74 PolarHBondContact SG-SG 3.21Å; N59-C74 WeakPolarHBondContact O-CB 3.33Å; T60-C74 PolarHBondContact OG1-N 3.19Å; C74-S82 PolarHBondContact SG-OG 2.85Å; C74-S82 VanDerWaalsContact SG-OG 3.34Å
75	A	82.8	Confident	83.2	Confident	2 Å²	2	55.7 Å²	55.7	2%	0.017	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	149.1	-174.9	0	0	0	0	0	110.9	W43 F73 I77 S82 S83 A85	W43-A75 HydrophobicContact CB-CB 3.68Å; W43-A75 HydrophobicContact CG-CB 4.43Å; W43-A75 CarbonylContact O-C 3.44Å; F73-A75 HydrophobicContact CD2-CB 4.17Å; F73-A75 HydrophobicContact CE2-CB 3.67Å; F73-A75 HydrophobicContact CZ-CB 4.43Å; A75-I77 HydrophobicContact CB-CG1 4.07Å; A75-I77 PolarHBondContact O-N 3.41Å; A75-S82 CarbonylContact O-C 3.58Å; A75-S82 WeakPolarHBondContact O-CA 3.21Å; A75-S83 PolarHBondContact N-O 3.15Å; A75-S83 PolarHBondContact O-N 3.39Å; A75-A85 HydrophobicContact CB-CB 4.5Å
76	N	77.2	Confident	83	Confident	52 Å²	52	50.9 Å²	50.9	28%	0.278	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	96.1	165.1	-81.6	-10.6	0	0	0	109.5	S42 W43 V44 Y45 G81 S82	S42-N76 WeakPolarHBondContact CB-ND2 3.47Å; S42-N76 PolarHBondContact OG-ND2 2.03Å; W43-N76 CarbonylContact O-C 3.5Å; W43-N76 WeakPolarHBondContact O-CA 3.3Å; W43-N76 PolarHBondContact O-N 3.31Å; V44-N76 CarbonylContact C-O 3.44Å; V44-N76 VanDerWaalsContact CA-O 3.23Å; V44-N76 WeakPolarHBondContact CA-O 3.3Å; V44-N76 HydrophobicContact CG2-CB 4.29Å; Y45-N76 PolarHBondContact N-O 2.81Å; N76-G81 CarbonylContact C-O 3.53Å; N76-G81 WeakPolarHBondContact CA-O 3.28Å; N76-S82 VanDerWaalsContact OD1-CA 3.25Å; N76-S82 WeakPolarHBondContact OD1-CA 3.23Å; N76-S82 VanDerWaalsContact OD1-CB 3.28Å; N76-S82 WeakPolarHBondContact OD1-CB 3.13Å; N76-S82 PolarHBondContact OD1-N 3.48Å
77	I	75.3	Confident	82.4	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.2	178.9	-55.1	178.4	0	0	0	108.2	Y45 Y49 I54 A75 P79 C80 G81 A85	Y45-I77 HydrophobicContact CD1-CG2 3.83Å; Y45-I77 HydrophobicContact CG-CG2 4.21Å; Y49-I77 HydrophobicContact CD2-CG2 4.42Å; Y49-I77 HydrophobicContact CG-CG2 4.04Å; I54-I77 HydrophobicContact CD1-CB 4.49Å; I54-I77 HydrophobicContact CD1-CD1 3.76Å; I54-I77 HydrophobicContact CD1-CG2 4.07Å; I54-I77 HydrophobicContact CG2-CD1 4.08Å; A75-I77 HydrophobicContact CB-CG1 4.07Å; A75-I77 PolarHBondContact O-N 3.41Å; I77-P79 CarbonylContact O-C 3.46Å; I77-C80 HydrophobicContact CB-CB 4.36Å; I77-C80 CarbonylContact O-C 3.48Å; I77-C80 VanDerWaalsContact O-CA 3.32Å; I77-C80 WeakPolarHBondContact O-CA 3.28Å; I77-C80 WeakPolarHBondContact O-CB 3.34Å; I77-C80 PolarHBondContact O-N 3.28Å; I77-G81 PolarHBondContact N-O 3.2Å; I77-G81 PolarHBondContact O-N 3.25Å; I77-A85 HydrophobicContact CD1-CB 4.01Å
78	Y	69.8	Low	81.8	Confident	153 Å²	153	49.2 Å²	49.2	60%	0.6	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	134.9	172.8	-176.5	-96.4	0	0	0	109.9	Y45	Y45-Y78 VanDerWaalsContact O-CB 3.32Å; Y45-Y78 WeakPolarHBondContact O-CB 3.47Å; Y45-Y78 PolarHBondContact O-N 3.39Å
79	P	74.1	Confident	80.7	Confident	73 Å²	73	45.7 Å²	45.7	47%	0.474	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	cis	-92	7.6	0.1	36.4	-35.1	0	0	0	115.1	I77 G81	I77-P79 CarbonylContact O-C 3.46Å; P79-G81 VanDerWaalsContact C-N 3.35Å; P79-G81 PolarHBondContact O-N 3.19Å
80	C	77.6	Confident	79.1	Confident	29 Å²	29	47 Å²	47	20%	0.196	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-19.6	-172.6	-44.4	0	0	0	0	115.6	C51 I54 I77	C51-C80 WeakPolarHBondContact CA-SG 3.39Å; C51-C80 HydrophobicContact CB-CB 3.74Å; C51-C80 WeakPolarHBondContact CB-SG 3.09Å; C51-C80 WeakPolarHBondContact SG-CA 3.25Å; C51-C80 WeakPolarHBondContact SG-CB 3.34Å; C51-C80 PolarHBondContact SG-N 3.15Å; C51-C80 VanDerWaalsContact SG-N 3.4Å; C51-C80 CovalentContact SG-SG 2.04Å; C51-C80 PolarHBondContact SG-SG 3.45Å; I54-C80 HydrophobicContact CD1-CB 4.33Å; I77-C80 HydrophobicContact CB-CB 4.36Å; I77-C80 CarbonylContact O-C 3.48Å; I77-C80 VanDerWaalsContact O-CA 3.32Å; I77-C80 WeakPolarHBondContact O-CA 3.28Å; I77-C80 WeakPolarHBondContact O-CB 3.34Å; I77-C80 PolarHBondContact O-N 3.28Å
81	G	80.7	Confident	77.6	Confident	33 Å²	33	46.5 Å²	46.5	34%	0.34	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	78	-149.5	-171.4	0	0	0	0	0	111.9	N76 I77 P79 S83	N76-G81 CarbonylContact C-O 3.53Å; N76-G81 WeakPolarHBondContact CA-O 3.28Å; I77-G81 PolarHBondContact N-O 3.2Å; I77-G81 PolarHBondContact O-N 3.25Å; P79-G81 VanDerWaalsContact C-N 3.35Å; P79-G81 PolarHBondContact O-N 3.19Å; G81-S83 PolarHBondContact O-N 3.42Å; G81-S83 VanDerWaalsContact O-N 3.15Å; G81-S83 PolarHBondContact O-OG 3.35Å
82	S	85.6	Confident	76.1	Confident	37 Å²	37	47.8 Å²	47.8	26%	0.259	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	105	-175	-170.1	0	0	0	0	111.3	S56 C57 C74 A75 N76	S56-S82 CarbonylContact C-O 3.55Å; S56-S82 VanDerWaalsContact CA-O 3.24Å; S56-S82 WeakPolarHBondContact CA-O 3.45Å; C57-S82 PolarHBondContact N-O 3.47Å; C57-S82 WeakPolarHBondContact O-CB 2.98Å; C57-S82 PolarHBondContact O-OG 3.02Å; C74-S82 PolarHBondContact SG-OG 2.85Å; C74-S82 VanDerWaalsContact SG-OG 3.34Å; A75-S82 CarbonylContact O-C 3.58Å; A75-S82 WeakPolarHBondContact O-CA 3.21Å; N76-S82 VanDerWaalsContact OD1-CA 3.25Å; N76-S82 WeakPolarHBondContact OD1-CA 3.23Å; N76-S82 VanDerWaalsContact OD1-CB 3.28Å; N76-S82 WeakPolarHBondContact OD1-CB 3.13Å; N76-S82 PolarHBondContact OD1-N 3.48Å
83	S	86.4	Confident	74.6	Confident	2 Å²	2	45.3 Å²	45.3	1%	0.014	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	158.6	-172.6	-46.5	0	0	0	0	113.1	I54 Y55 C57 A75 G81	I54-S83 VanDerWaalsContact CG2-CB 3.43Å; Y55-S83 CarbonylContact O-C 3.57Å; Y55-S83 WeakPolarHBondContact O-CA 3.46Å; Y55-S83 WeakPolarHBondContact O-CB 3.42Å; C57-S83 VanDerWaalsContact SG-CA 3.52Å; C57-S83 PolarHBondContact SG-O 3.49Å; C57-S83 VanDerWaalsContact SG-O 3.4Å; A75-S83 PolarHBondContact N-O 3.15Å; A75-S83 PolarHBondContact O-N 3.39Å; G81-S83 PolarHBondContact O-N 3.42Å; G81-S83 VanDerWaalsContact O-N 3.15Å; G81-S83 PolarHBondContact O-OG 3.35Å
84	C	84.2	Confident	72.9	Confident	6 Å²	6	55.4 Å²	55.4	4%	0.041	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	125.6	-177	-63.7	0	0	0	0	112.8	I54 Y55 C57 C63 Y67 F73	I54-C84 WeakPolarHBondContact CG2-O 3.46Å; Y55-C84 PolarHBondContact O-N 3.15Å; C57-C84 VanDerWaalsContact CB-SG 3.59Å; C63-C84 WeakPolarHBondContact CA-SG 3.02Å; C63-C84 HydrophobicContact CB-CB 3.71Å; C63-C84 WeakPolarHBondContact CB-SG 3.32Å; C63-C84 WeakPolarHBondContact SG-CA 3.01Å; C63-C84 WeakPolarHBondContact SG-CB 3.29Å; C63-C84 CovalentContact SG-SG 2.04Å; C63-C84 PolarHBondContact SG-SG 3.43Å; Y67-C84 HydrophobicContact CD2-CB 4.41Å; Y67-C84 HydrophobicContact CE2-CB 3.69Å; F73-C84 CarbonylContact O-C 3.58Å; F73-C84 VanDerWaalsContact O-CA 3.32Å; F73-C84 WeakPolarHBondContact O-CA 3.42Å
85	A	82.5	Confident	71.2	Confident	7 Å²	7	57.7 Å²	57.7	6%	0.058	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.6	173.8	0	0	0	0	0	111.3	Y72 F73 A75 I77	Y72-A85 CarbonylContact C-O 3.38Å; Y72-A85 VanDerWaalsContact CA-O 3.31Å; Y72-A85 WeakPolarHBondContact CA-O 3.26Å; F73-A85 WeakPolarHBondContact CD1-O 3.39Å; F73-A85 HydrophobicContact CE1-CB 3.87Å; F73-A85 WeakPolarHBondContact CE1-O 3.43Å; F73-A85 HydrophobicContact CE2-CB 4.45Å; F73-A85 HydrophobicContact CZ-CB 3.79Å; F73-A85 PolarHBondContact N-O 3.25Å; F73-A85 PolarHBondContact O-N 3.33Å; A75-A85 HydrophobicContact CB-CB 4.5Å; I77-A85 HydrophobicContact CD1-CB 4.01Å
86	P	84.2	Confident	69.3	Low	21 Å²	21	62.3 Å²	62.3	14%	0.136	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	145.4	168.3	-11.3	24.2	0	0	0	111.3	N71 Y72 F73 D88 Y89	N71-P86 CarbonylContact O-C 3.34Å; N71-P86 WeakPolarHBondContact O-CA 3.46Å; Y72-P86 HydrophobicContact CD1-CG 4.4Å; Y72-P86 HydrophobicContact CE1-CB 4.23Å; Y72-P86 HydrophobicContact CE1-CG 3.79Å; F73-P86 VanDerWaalsContact CE1-O 3.3Å; F73-P86 WeakPolarHBondContact CE1-O 3.18Å; P86-D88 PolarHBondContact O-N 3.24Å; P86-D88 VanDerWaalsContact O-N 3.1Å; P86-Y89 HydrophobicContact CB-CD2 3.81Å; P86-Y89 HydrophobicContact CB-CE2 4.22Å; P86-Y89 HydrophobicContact CG-CD2 3.51Å; P86-Y89 HydrophobicContact CG-CE2 3.56Å; P86-Y89 WeakPolarHBondContact O-CA 3.24Å; P86-Y89 VanDerWaalsContact O-CB 3.26Å; P86-Y89 WeakPolarHBondContact O-CB 3.34Å; P86-Y89 PolarHBondContact O-N 3.17Å
87	L	76.6	Confident	67.4	Low	50 Å²	50	65.5 Å²	65.5	26%	0.262	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-56.5	-27.1	176.3	-65.2	177.5	0	0	0	112	N71 F73 Y89 H90	N71-L87 HydrophobicContact CB-CD1 4.17Å; N71-L87 HydrophobicContact CB-CG 4.3Å; N71-L87 PolarHBondContact O-N 3.25Å; F73-L87 HydrophobicContact CB-CD2 4.32Å; F73-L87 HydrophobicContact CD1-CD2 3.63Å; F73-L87 HydrophobicContact CD1-CG 4.39Å; F73-L87 HydrophobicContact CE1-CD2 4.34Å; F73-L87 HydrophobicContact CG-CD2 4.26Å; L87-Y89 PolarHBondContact O-N 3.42Å; L87-H90 WeakPolarHBondContact CD2-NE2 3.31Å; L87-H90 WeakPolarHBondContact O-CB 2.97Å; L87-H90 PolarHBondContact O-CD2 3.4Å; L87-H90 PolarHBondContact O-N 3.4Å
88	D	73.4	Confident	65.7	Low	140 Å²	140	73.1 Å²	73.1	75%	0.749	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-61.3	-15.1	173.8	-57.9	-55.8	0	0	0	112.9	P86	P86-D88 PolarHBondContact O-N 3.24Å; P86-D88 VanDerWaalsContact O-N 3.1Å
89	Y	67.1	Low	64.5	Low	80 Å²	80	69.5 Å²	69.5	31%	0.314	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-89.8	7.1	171.6	-70.5	-103.4	0	0	0	113.9	Y45 Y49 P86 L87 L93	Y45-Y89 HydrophobicContact CE2-CD1 4.14Å; Y49-Y89 HydrophobicContact CD2-CE1 4.5Å; Y49-Y89 HydrophobicContact CE2-CD1 4.06Å; Y49-Y89 AromaticContact CE2-CE1 3.48Å; Y49-Y89 HydrophobicContact CE2-CE1 3.48Å; Y49-Y89 VanDerWaalsContact CE2-CE1 3.48Å; Y49-Y89 PolarHBondContact OH-OH 3.48Å; P86-Y89 HydrophobicContact CB-CD2 3.81Å; P86-Y89 HydrophobicContact CB-CE2 4.22Å; P86-Y89 HydrophobicContact CG-CD2 3.51Å; P86-Y89 HydrophobicContact CG-CE2 3.56Å; P86-Y89 WeakPolarHBondContact O-CA 3.24Å; P86-Y89 VanDerWaalsContact O-CB 3.26Å; P86-Y89 WeakPolarHBondContact O-CB 3.34Å; P86-Y89 PolarHBondContact O-N 3.17Å; L87-Y89 PolarHBondContact O-N 3.42Å; Y89-L93 WeakPolarHBondContact O-CG 3.44Å
90	H	55.4	Low	62.6	Low	54 Å²	54	72.7 Å²	72.7	25%	0.25	40%	0.404	C	S	.	.			trans	-55.4	-173.3	143.6	-59.7	-44.8	0	0	0	108.4	F73 L87 H92 Y96	F73-H90 AromaticContact CD1-CE1 3.94Å; F73-H90 AromaticContact CE1-CE1 3.65Å; F73-H90 AromaticContact CZ-CE1 3.81Å; F73-H90 AromaticContact CZ-ND1 3.91Å; L87-H90 WeakPolarHBondContact CD2-NE2 3.31Å; L87-H90 WeakPolarHBondContact O-CB 2.97Å; L87-H90 PolarHBondContact O-CD2 3.4Å; L87-H90 PolarHBondContact O-N 3.4Å; H90-H92 PolarHBondContact O-N 2.98Å; H90-Y96 VanDerWaalsContact CA-OH 3.28Å; H90-Y96 WeakPolarHBondContact CA-OH 3.44Å; H90-Y96 HydrophobicContact CB-CE1 3.57Å; H90-Y96 AromaticContact CG-CE1 3.8Å; H90-Y96 AromaticContact ND1-CE1 3.53Å
91	G	54.9	Low	60.8	Low	76 Å²	76	82.1 Å²	82.1	78%	0.784	45%	0.445	S	S	*	.	S	Bend	trans	65.7	-49.4	-165.7	0	0	0	0	0	115.8	Y96	G91-Y96 WeakPolarHBondContact CA-OH 3.48Å; G91-Y96 PolarHBondContact N-OH 3.48Å
92	H	54.3	Low	59.8	Low	107 Å²	107	84.6 Å²	84.6	50%	0.495	45%	0.45	S	S	.	.	S	Bend	trans	-92	-15.8	-179.3	-72.1	-92	0	0	0	114.4	Y45 D47 H90	Y45-H92 HydrophobicContact CD2-CB 4.23Å; Y45-H92 HydrophobicContact CE2-CB 3.54Å; D47-H92 IonicContact OD2-ND1 2.72Å; H90-H92 PolarHBondContact O-N 2.98Å
93	L	54.3	Low	58.4	Low	6 Å²	6	87.1 Å²	87.1	3%	0.031	46%	0.46	C	S	.	.			trans	-77.9	129.7	177.6	-68.2	166.9	0	0	0	110.8	W43 Y45 F73 Y89 S95 Y96	W43-L93 HydrophobicContact CB-CD1 4.04Å; W43-L93 HydrophobicContact CB-CD2 4.11Å; W43-L93 HydrophobicContact CD2-CD1 4.35Å; W43-L93 HydrophobicContact CE3-CB 4.38Å; W43-L93 HydrophobicContact CE3-CD1 3.87Å; W43-L93 HydrophobicContact CG-CD1 4.45Å; Y45-L93 HydrophobicContact CD2-CD2 3.83Å; Y45-L93 HydrophobicContact CD2-CG 4.4Å; Y45-L93 HydrophobicContact CG-CD2 4.29Å; F73-L93 HydrophobicContact CE1-CD1 4.45Å; F73-L93 HydrophobicContact CE2-CD1 3.41Å; F73-L93 VanDerWaalsContact CE2-CD1 3.41Å; F73-L93 HydrophobicContact CZ-CD1 3.23Å; Y89-L93 WeakPolarHBondContact O-CG 3.44Å; L93-S95 PolarHBondContact O-N 3.21Å; L93-Y96 HydrophobicContact CB-CE1 4.29Å; L93-Y96 WeakPolarHBondContact CB-OH 3.32Å; L93-Y96 PolarHBondContact N-OH 3.48Å; L93-Y96 VanDerWaalsContact N-OH 3.11Å; L93-Y96 WeakPolarHBondContact O-CE2 3.46Å; L93-Y96 VanDerWaalsContact O-CZ 3.26Å; L93-Y96 PolarHBondContact O-OH 3.49Å
94	R	49.6	Very low	56.9	Low	218 Å²	218	91.8 Å²	91.8	82%	0.823	49%	0.485	S	S	*	.	S	Bend	trans	-71.3	-11.3	-173.7	-105.4	-175.4	172.4	-166.1	-1.8	115
95	S	49.2	Very low	55.2	Low	61 Å²	61	96.9 Å²	96.9	43%	0.427	51%	0.511	S	S	.	.			trans	-147.1	111.5	-170.7	-44.1	0	0	0	0	111	W43 L93	W43-S95 WeakPolarHBondContact CZ3-O 3.29Å; L93-S95 PolarHBondContact O-N 3.21Å
96	Y	42.4	Very low	53.5	Low	100 Å²	100	102.5 Å²	102.5	39%	0.392	54%	0.54	S	S	.	.			trans	-108.2	119.8	170.8	-52.7	-97.1	0	0	0	109.7	W43 H90 G91 L93	W43-Y96 HydrophobicContact CE3-CD1 4.35Å; W43-Y96 AromaticContact CH2-CD1 3.99Å; W43-Y96 HydrophobicContact CH2-CD1 3.99Å; W43-Y96 HydrophobicContact CH2-CG 4.5Å; W43-Y96 VanDerWaalsContact CZ3-CA 3.5Å; W43-Y96 AromaticContact CZ3-CD1 3.34Å; W43-Y96 HydrophobicContact CZ3-CD1 3.34Å; W43-Y96 AromaticContact CZ3-CE1 3.94Å; W43-Y96 HydrophobicContact CZ3-CE1 3.94Å; W43-Y96 AromaticContact CZ3-CG 3.83Å; W43-Y96 HydrophobicContact CZ3-CG 3.83Å; H90-Y96 VanDerWaalsContact CA-OH 3.28Å; H90-Y96 WeakPolarHBondContact CA-OH 3.44Å; H90-Y96 HydrophobicContact CB-CE1 3.57Å; H90-Y96 AromaticContact CG-CE1 3.8Å; H90-Y96 AromaticContact ND1-CE1 3.53Å; G91-Y96 WeakPolarHBondContact CA-OH 3.48Å; G91-Y96 PolarHBondContact N-OH 3.48Å; L93-Y96 HydrophobicContact CB-CE1 4.29Å; L93-Y96 WeakPolarHBondContact CB-OH 3.32Å; L93-Y96 PolarHBondContact N-OH 3.48Å; L93-Y96 VanDerWaalsContact N-OH 3.11Å; L93-Y96 WeakPolarHBondContact O-CE2 3.46Å; L93-Y96 VanDerWaalsContact O-CZ 3.26Å; L93-Y96 PolarHBondContact O-OH 3.49Å
97	E	37.4	Very low	51.5	Low	119 Å²	119	107.9 Å²	107.9	56%	0.556	57%	0.566	S	S	*	*			trans	-129.6	128.6	136.4	-87.4	178.9	58.7	0	0	105.6	R41 W43 A99	R41-E97 VanDerWaalsContact CZ-CD 3.48Å; R41-E97 IonicContact CZ-OE2 3.05Å; R41-E97 IonicContact NH1-OE1 3.42Å; R41-E97 PolarHBondContact NH1-OE1 3.29Å; R41-E97 IonicContact NH1-OE2 2.61Å; R41-E97 PolarHBondContact NH1-OE2 3.41Å; R41-E97 IonicContact NH2-OE2 3.91Å; R41-E97 PolarHBondContact NH2-OE2 3.34Å; W43-E97 WeakPolarHBondContact CZ2-O 3.42Å; E97-A99 PolarHBondContact O-N 3.46Å
98	L	40.7	Very low	49.7	Very low	164 Å²	164	112.1 Å²	112.1	86%	0.859	59%	0.588	S	S	*	*			trans	-57.2	104.9	174.8	-82.6	120	0	0	0	107.9	T100	L98-T100 PolarHBondContact O-N 3.45Å; L98-T100 VanDerWaalsContact O-N 3.11Å
99	A	42.8	Very low	47.9	Very low	77 Å²	77	109.9 Å²	109.9	64%	0.636	58%	0.576	S	S	*	*			trans	-67.3	108.3	162.6	0	0	0	0	0	106.2	E97	E97-A99 PolarHBondContact O-N 3.46Å
100	T	36.1	Very low	46.3	Very low	140 Å²	140	112.4 Å²	112.4	86%	0.859	60%	0.598	S	S	*	*			trans	-50.4	143.8	168.4	-16.2	0	0	0	0	109.4	L98	L98-T100 PolarHBondContact O-N 3.45Å; L98-T100 VanDerWaalsContact O-N 3.11Å
101	E	38.1	Very low	45.4	Very low	227 Å²	227	117.7 Å²	117.7	100%	1.061	63%	0.629	S	S	*	*			trans	-52.8	0	-165.9	-59.2	-169.2	100	0	0	116.7	R64	R64-E101 IonicContact CZ-OE1 2.85Å; R64-E101 IonicContact NH1-OE1 3.58Å; R64-E101 PolarHBondContact NH1-OE1 3.01Å

Retrieved 101 of 101 residues in 297.1 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).