A0A5K4F4A6_SCHMA Loading...

Single-stranded DNA-binding protein

AlphaFold DB , UniProt , Accession A0A5K4F4A6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 91 aa.

						>A0A5K4F4A6_SCHMA|A0A5K4F4A6
MNTVKAMYNLNEQIIIIGYQRLIILKTLEQLPITFNGIIEQNDHLNYNLITYIEHKYKINLNMYYLNSTRVKQKQNIVYIIIPRKLTSDNI
					

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(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	27.2	Very low	26.6	Very low	233 Å²	233	157.8 Å²	157.8	100%	1.148	82%	0.823	S	S	*	*				0	117.1	0	-85.6	178.3	167.4	0	0	107.5
2	N	22.5	Very low	26.8	Very low	161 Å²	161	155.8 Å²	155.8	86%	0.861	81%	0.806	S	S	*	*			trans	-97.9	108.6	-175.1	-72.1	-6.4	0	0	0	109.8	V4	N2-V4 PolarHBondContact O-N 3.24Å
3	T	26.1	Very low	27.4	Very low	123 Å²	123	150.5 Å²	150.5	76%	0.755	78%	0.776	S	S	*	*			trans	-75.1	115.6	173.3	-37.2	0	0	0	0	109	K5	T3-K5 PolarHBondContact O-N 3.07Å
4	V	26.5	Very low	27.8	Very low	131 Å²	131	144.6 Å²	144.6	79%	0.794	75%	0.745	S	S	*	*			trans	-84.9	106	173.1	-178.6	0	0	0	0	108.3	N2	N2-V4 PolarHBondContact O-N 3.24Å
5	K	25.9	Very low	28.6	Very low	190 Å²	190	136.3 Å²	136.3	83%	0.826	70%	0.702	S	S	*	*			trans	-86.3	128	169.8	-76.1	-179.4	176.5	178.1	0	109	T3	T3-K5 PolarHBondContact O-N 3.07Å
6	A	27.4	Very low	29.1	Very low	77 Å²	77	133.1 Å²	133.1	64%	0.636	69%	0.686	S	S	*	*			trans	-96.9	123	166.8	0	0	0	0	0	109.5
7	M	25.7	Very low	29.6	Very low	174 Å²	174	128.6 Å²	128.6	86%	0.857	66%	0.662	S	S	*	*			trans	-107.4	119	166.9	-93	176.1	65.3	0	0	107.6
8	Y	30.2	Very low	29.6	Very low	188 Å²	188	123.2 Å²	123.2	74%	0.737	64%	0.644	S	S	*	*			trans	-145.3	150.5	166.3	-77.2	-74.4	0	0	0	113.6
9	N	23.7	Very low	30	Very low	164 Å²	164	122.6 Å²	122.6	88%	0.877	63%	0.633	S	S	*	*			trans	-68.5	128	-164.8	-143.8	-10.4	0	0	0	112.3	N11	N9-N11 PolarHBondContact O-N 3.07Å; N9-N11 VanDerWaalsContact O-N 3.13Å
10	L	26.7	Very low	29.9	Very low	127 Å²	127	124.1 Å²	124.1	67%	0.665	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	82.9	-165.9	-73.6	160.3	0	0	0	112.5	Q13	L10-Q13 HydrophobicContact CD2-CG 3.91Å
11	N	31.2	Very low	30	Very low	168 Å²	168	128.3 Å²	128.3	90%	0.898	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.2	-10.7	148.7	-83.1	-12.4	0	0	0	112.3	N9	N9-N11 PolarHBondContact O-N 3.07Å; N9-N11 VanDerWaalsContact O-N 3.13Å
12	E	28.2	Very low	30.3	Very low	133 Å²	133	122.5 Å²	122.5	62%	0.621	62%	0.618	S	S	*	*	S	Bend	trans	-133.6	120.9	171.8	-65.6	-174.2	151.9	0	0	108.6	I14	E12-I14 PolarHBondContact O-N 3.45Å
13	Q	34.3	Very low	30.8	Very low	88 Å²	88	122.2 Å²	122.2	41%	0.411	62%	0.615	S	S	.	*			trans	-81	116.7	174.8	-83.1	-178.7	-37.9	0	0	109.8	L10 Y64	L10-Q13 HydrophobicContact CD2-CG 3.91Å; Q13-Y64 PolarHBondContact OE1-OH 2.91Å
14	I	34	Very low	31.1	Very low	68 Å²	68	121.9 Å²	121.9	35%	0.349	61%	0.607	S	S	.	*	B	Isolated β-bridge	trans	-95.2	126	179.5	-58	176.3	0	0	0	108.4	E12 I16 Y79 I80	E12-I14 PolarHBondContact O-N 3.45Å; I14-I16 HydrophobicContact CG2-CG1 4.12Å; I14-Y79 HydrophobicContact CD1-CD1 4.18Å; I14-Y79 HydrophobicContact CG2-CD1 4.29Å; I14-I80 WeakPolarHBondContact CG2-O 3.43Å
15	I	39.7	Very low	31.3	Very low	19 Å²	19	119.7 Å²	119.7	10%	0.097	59%	0.59	C	S	.	*			trans	-112.5	108	176.6	-57.5	-179.2	0	0	0	108.3	I17 I59 Y64 I80 I82	I15-I17 HydrophobicContact CG2-CD1 3.88Å; I15-I17 HydrophobicContact CG2-CG1 3.7Å; I15-I59 HydrophobicContact CD1-CD1 4.39Å; I15-I59 HydrophobicContact CG2-CD1 4.4Å; I15-Y64 HydrophobicContact CD1-CD1 3.71Å; I15-Y64 HydrophobicContact CD1-CD2 4.12Å; I15-Y64 HydrophobicContact CD1-CE1 3.66Å; I15-Y64 HydrophobicContact CD1-CE2 4.06Å; I15-Y64 HydrophobicContact CD1-CG 3.95Å; I15-Y64 HydrophobicContact CG1-CE1 4.5Å; I15-I80 CarbonylContact C-O 3.37Å; I15-I80 PolarHBondContact N-O 3.32Å; I15-I80 VanDerWaalsContact N-O 3.15Å; I15-I80 CarbonylContact O-C 3.49Å; I15-I80 WeakPolarHBondContact O-CB 3.04Å; I15-I80 WeakPolarHBondContact O-CG2 3.49Å; I15-I82 HydrophobicContact CB-CD1 4Å; I15-I82 HydrophobicContact CB-CG1 4.2Å; I15-I82 HydrophobicContact CD1-CB 4.32Å; I15-I82 HydrophobicContact CD1-CD1 4.29Å; I15-I82 HydrophobicContact CG2-CD1 4.18Å
16	I	36.8	Very low	31.4	Very low	85 Å²	85	120 Å²	120	44%	0.436	59%	0.592	S	S	.	*			trans	-87.3	114.3	179.6	-58.9	178.2	0	0	0	109.1	I14 F35	I14-I16 HydrophobicContact CG2-CG1 4.12Å; I16-F35 HydrophobicContact CG2-CE1 4.09Å; I16-F35 HydrophobicContact CG2-CE2 4.31Å; I16-F35 HydrophobicContact CG2-CZ 3.38Å
17	I	37.4	Very low	31.6	Very low	57 Å²	57	122.7 Å²	122.7	29%	0.292	60%	0.601	S	S	.	*			trans	-122.9	119.5	-179.9	-50.2	-177.9	0	0	0	110.3	I15 I53 I80 I82	I15-I17 HydrophobicContact CG2-CD1 3.88Å; I15-I17 HydrophobicContact CG2-CG1 3.7Å; I17-I53 HydrophobicContact CG2-CD1 4.24Å; I17-I80 HydrophobicContact CB-CD1 4.36Å; I17-I80 WeakPolarHBondContact O-CD1 3.27Å; I17-I82 HydrophobicContact CD1-CD1 3.83Å
18	G	30	Very low	32	Very low	32 Å²	32	118.2 Å²	118.2	33%	0.33	58%	0.58	S	S	.	*			trans	-91.2	152.7	175	0	0	0	0	0	113.1
19	Y	36.5	Very low	32	Very low	111 Å²	111	117.9 Å²	117.9	44%	0.435	59%	0.585	S	S	.	*			trans	-101.9	130.3	-161.8	-174.6	-95.2	0	0	0	116.7	L22 L25	Y19-L22 VanDerWaalsContact CZ-N 3.33Å; Y19-L22 WeakPolarHBondContact OH-CB 3.49Å; Y19-L22 WeakPolarHBondContact OH-CD1 3.35Å; Y19-L22 WeakPolarHBondContact OH-CG 3.39Å; Y19-L22 PolarHBondContact OH-N 2.73Å; Y19-L25 HydrophobicContact CD2-CD1 3.56Å; Y19-L25 HydrophobicContact CE2-CD1 3.49Å; Y19-L25 VanDerWaalsContact CE2-CD1 3.49Å
20	Q	28.4	Very low	32.4	Very low	152 Å²	152	118.5 Å²	118.5	71%	0.71	58%	0.583	S	S	*	*	S	Bend	trans	-170.3	111.1	130.7	-111.1	-177.7	-6.7	0	0	104.7
21	R	32.5	Very low	32.7	Very low	213 Å²	213	116.7 Å²	116.7	80%	0.804	57%	0.573	S	S	*	*			cis	-149.8	139.9	28.9	-102	168	159.5	158.7	-5.7	108.4
22	L	33.2	Very low	32.6	Very low	112 Å²	112	113.5 Å²	113.5	59%	0.586	56%	0.562	S	S	*	*				35.7	98.3	127.6	-104.4	139.9	0	0	0	116.9	Y19	Y19-L22 VanDerWaalsContact CZ-N 3.33Å; Y19-L22 WeakPolarHBondContact OH-CB 3.49Å; Y19-L22 WeakPolarHBondContact OH-CD1 3.35Å; Y19-L22 WeakPolarHBondContact OH-CG 3.39Å; Y19-L22 PolarHBondContact OH-N 2.73Å
23	I	31.9	Very low	32.7	Very low	155 Å²	155	114.4 Å²	114.4	80%	0.795	57%	0.569	S	S	*	*	S	Bend		-170.7	116.3	128.8	-82.5	139.4	0	0	0	103.9
24	I	32.3	Very low	32.4	Very low	115 Å²	115	116 Å²	116	59%	0.59	59%	0.585	S	S	*	*	S	Bend	trans	87.6	38.3	-169.9	-37.5	156.4	0	0	0	115.3
25	L	31.1	Very low	32.3	Very low	85 Å²	85	116.3 Å²	116.3	45%	0.445	58%	0.584	S	S	.	*			trans	-134	32.7	170.2	-75.6	162	0	0	0	111.7	Y19 T27 L28	Y19-L25 HydrophobicContact CD2-CD1 3.56Å; Y19-L25 HydrophobicContact CE2-CD1 3.49Å; Y19-L25 VanDerWaalsContact CE2-CD1 3.49Å; L25-T27 PolarHBondContact O-N 2.94Å; L25-L28 HydrophobicContact CD2-CD1 3.28Å; L25-L28 HydrophobicContact CD2-CG 4.16Å
26	K	27.9	Very low	31.7	Very low	196 Å²	196	123.3 Å²	123.3	85%	0.852	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-3.4	-178.8	-107.5	-173.3	176.2	-174.9	0	114.3
27	T	32.8	Very low	31.4	Very low	134 Å²	134	120.6 Å²	120.6	82%	0.822	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.6	3.5	-172.6	23.2	0	0	0	0	115.1	L25 E29	L25-T27 PolarHBondContact O-N 2.94Å; T27-E29 PolarHBondContact O-N 3.39Å
28	L	33.7	Very low	31	Very low	80 Å²	80	124.4 Å²	124.4	42%	0.419	63%	0.634	S	S	.	*			trans	-97.5	50.8	179.3	-68.1	178.7	0	0	0	112.2	L25 Q30 V71	L25-L28 HydrophobicContact CD2-CD1 3.28Å; L25-L28 HydrophobicContact CD2-CG 4.16Å; L28-Q30 PolarHBondContact O-N 2.85Å; L28-V71 HydrophobicContact CD1-CG2 4.11Å; L28-V71 HydrophobicContact CD2-CB 4.31Å; L28-V71 HydrophobicContact CD2-CG2 3.87Å
29	E	29.8	Very low	31.1	Very low	181 Å²	181	127.1 Å²	127.1	85%	0.846	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	7.2	-172.2	-78.9	-172.8	151.7	0	0	116	T27	T27-E29 PolarHBondContact O-N 3.39Å
30	Q	31.9	Very low	30.8	Very low	178 Å²	178	127.7 Å²	127.7	83%	0.832	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.8	42.5	-170.2	-61.9	-174.5	-10.7	0	0	116.4	L28	L28-Q30 PolarHBondContact O-N 2.85Å
31	L	34.1	Very low	30.9	Very low	89 Å²	89	127.8 Å²	127.8	47%	0.466	65%	0.648	S	S	.	*			trans	-113.6	111.6	171.6	-80.2	168.7	0	0	0	113.1	V71	L31-V71 HydrophobicContact CD1-CG1 4.08Å
32	P	28.5	Very low	30.9	Very low	101 Å²	101	122.1 Å²	122.1	66%	0.656	63%	0.633	S	S	*	*			trans	-90.4	133.6	169	33.3	-26.8	0	0	0	112.3
33	I	30.9	Very low	31.1	Very low	152 Å²	152	123 Å²	123	78%	0.779	64%	0.638	S	S	*	*	S	Bend	trans	66.7	110.7	144.6	-48.3	172.8	0	0	0	119.1
34	T	27.7	Very low	31.1	Very low	122 Å²	122	123.5 Å²	123.5	75%	0.748	64%	0.637	S	S	*	*			trans	74.3	102.1	158.2	47	0	0	0	0	119.9
35	F	32.2	Very low	31.4	Very low	74 Å²	74	122.2 Å²	122.2	33%	0.325	63%	0.631	S	S	.	*			trans	-121.5	112.5	165.7	-173.7	-97.1	0	0	0	109.7	I16 G37 V78	I16-F35 HydrophobicContact CG2-CE1 4.09Å; I16-F35 HydrophobicContact CG2-CE2 4.31Å; I16-F35 HydrophobicContact CG2-CZ 3.38Å; F35-G37 PolarHBondContact O-N 3.26Å; F35-V78 HydrophobicContact CD2-CB 3.89Å; F35-V78 HydrophobicContact CD2-CG2 4.24Å; F35-V78 HydrophobicContact CE2-CB 4.07Å
36	N	25.4	Very low	32	Very low	165 Å²	165	127 Å²	127	88%	0.882	66%	0.657	S	S	*	*			trans	-87.5	80	175	-78.1	-23	0	0	0	110
37	G	30.5	Very low	32.7	Very low	29 Å²	29	123.3 Å²	123.3	30%	0.299	64%	0.638	S	S	.	*			trans	-92.5	146.4	159.3	0	0	0	0	0	109.4	F35 I39	F35-G37 PolarHBondContact O-N 3.26Å; G37-I39 VanDerWaalsContact C-N 3.27Å; G37-I39 PolarHBondContact O-N 3.4Å
38	I	30.2	Very low	33.4	Very low	137 Å²	137	121.3 Å²	121.3	70%	0.703	62%	0.623	S	S	*	*			trans	-65	92.1	171.4	-61.1	170.4	0	0	0	107.3
39	I	31.9	Very low	34	Very low	88 Å²	88	122.4 Å²	122.4	45%	0.451	63%	0.628	S	S	.	*			trans	-98.4	98.9	170.8	-58.9	174.8	0	0	0	105.3	G37 Q41	G37-I39 VanDerWaalsContact C-N 3.27Å; G37-I39 PolarHBondContact O-N 3.4Å; I39-Q41 PolarHBondContact O-N 3.13Å
40	E	29.6	Very low	35.1	Very low	124 Å²	124	117.1 Å²	117.1	58%	0.579	61%	0.606	S	S	*	*			trans	-69.6	108.7	160.9	-75	169.3	150.5	0	0	106.2	N42 Y52 K56	E40-N42 PolarHBondContact O-N 3.48Å; E40-Y52 PolarHBondContact OE2-OH 2.81Å; E40-K56 IonicContact OE2-NZ 2.88Å; E40-K56 PolarHBondContact OE2-NZ 3.29Å
41	Q	30.2	Very low	36.1	Very low	154 Å²	154	111.3 Å²	111.3	72%	0.72	58%	0.582	S	S	*	*			trans	-53	114	160.2	-98.2	-178.6	-42.7	0	0	106.9	I39	I39-Q41 PolarHBondContact O-N 3.13Å
42	N	33.5	Very low	36.8	Very low	94 Å²	94	110.2 Å²	110.2	50%	0.503	57%	0.572	S	S	.	*			trans	-115	96.9	166.9	-159.5	-31.4	0	0	0	107.2	E40 H44 L45	E40-N42 PolarHBondContact O-N 3.48Å; N42-H44 PolarHBondContact O-N 2.79Å; N42-H44 VanDerWaalsContact O-N 3.08Å; N42-H44 PolarHBondContact OD1-N 3.15Å; N42-L45 HydrophobicContact CB-CD1 3.9Å; N42-L45 HydrophobicContact CB-CG 4.31Å; N42-L45 VanDerWaalsContact CG-CD1 3.48Å; N42-L45 WeakPolarHBondContact ND2-CD1 3.21Å
43	D	36.3	Very low	37.9	Very low	130 Å²	130	106.2 Å²	106.2	70%	0.695	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	1.2	179.6	-65.8	-32.3	0	0	0	112.4
44	H	33.1	Very low	39.2	Very low	166 Å²	166	101.1 Å²	101.1	77%	0.769	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.1	39.2	-165.7	-72.9	-7.7	0	0	0	115.7	N42	N42-H44 PolarHBondContact O-N 2.79Å; N42-H44 VanDerWaalsContact O-N 3.08Å; N42-H44 PolarHBondContact OD1-N 3.15Å
45	L	39.1	Very low	40.5	Very low	88 Å²	88	102.2 Å²	102.2	46%	0.461	51%	0.514	S	S	.	.			trans	-126.1	105.5	179.7	-72.1	177.2	0	0	0	114.2	N42 Y47	N42-L45 HydrophobicContact CB-CD1 3.9Å; N42-L45 HydrophobicContact CB-CG 4.31Å; N42-L45 VanDerWaalsContact CG-CD1 3.48Å; N42-L45 WeakPolarHBondContact ND2-CD1 3.21Å; L45-Y47 HydrophobicContact CD2-CG 4.28Å; L45-Y47 PolarHBondContact O-N 2.82Å
46	N	43.1	Very low	41.6	Very low	186 Å²	186	102.6 Å²	102.6	100%	0.995	52%	0.516	S	S	*	.			trans	-60.1	17.4	145	-77.6	-26.2	0	0	0	112.7
47	Y	42.2	Very low	42.9	Very low	117 Å²	117	100.8 Å²	100.8	46%	0.459	50%	0.498	S	S	.	.	S	Bend	trans	-101.6	118.7	-170.4	-150	-95.3	0	0	0	108.1	L45 L49 T51	L45-Y47 HydrophobicContact CD2-CG 4.28Å; L45-Y47 PolarHBondContact O-N 2.82Å; Y47-L49 PolarHBondContact O-N 2.8Å; Y47-T51 HydrophobicContact CE1-CG2 3.75Å
48	N	47.7	Very low	44.2	Very low	92 Å²	92	108.7 Å²	108.7	49%	0.492	52%	0.524	S	S	.	.			trans	-55.9	124.6	-178.4	-176.4	-19.4	0	0	0	109.9	I50 T51 Y52	N48-I50 PolarHBondContact O-N 3.21Å; N48-I50 VanDerWaalsContact O-N 3.15Å; N48-I50 VanDerWaalsContact OD1-CB 3.31Å; N48-I50 WeakPolarHBondContact OD1-CB 3.37Å; N48-I50 PolarHBondContact OD1-N 3.23Å; N48-T51 WeakPolarHBondContact O-CA 3.47Å; N48-T51 WeakPolarHBondContact O-CB 3.26Å; N48-T51 PolarHBondContact O-N 3.36Å; N48-Y52 PolarHBondContact O-N 3.41Å
49	L	47	Very low	45.3	Very low	103 Å²	103	104.2 Å²	104.2	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-53.4	-34.7	179.7	-174.8	70.5	0	0	0	112.1	Y47 Y52 I53	Y47-L49 PolarHBondContact O-N 2.8Å; L49-Y52 PolarHBondContact O-N 3.42Å; L49-I53 HydrophobicContact CG-CD1 4.1Å; L49-I53 WeakPolarHBondContact O-CB 2.98Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.17Å; L49-I53 PolarHBondContact O-N 2.88Å
50	I	51.8	Low	46.7	Very low	71 Å²	71	103.7 Å²	103.7	36%	0.364	50%	0.499	S	S	.	.	H	α-helix	trans	-59.8	-53.6	174.6	-63.4	175.8	0	0	0	109.3	N48 Y52 I53 E54 L61	N48-I50 PolarHBondContact O-N 3.21Å; N48-I50 VanDerWaalsContact O-N 3.15Å; N48-I50 VanDerWaalsContact OD1-CB 3.31Å; N48-I50 WeakPolarHBondContact OD1-CB 3.37Å; N48-I50 PolarHBondContact OD1-N 3.23Å; I50-Y52 VanDerWaalsContact C-N 3.32Å; I50-Y52 PolarHBondContact O-N 3Å; I50-I53 PolarHBondContact O-N 3.33Å; I50-E54 HydrophobicContact CG2-CG 4.33Å; I50-E54 WeakPolarHBondContact O-CB 3.19Å; I50-E54 VanDerWaalsContact O-CG 3.27Å; I50-E54 WeakPolarHBondContact O-CG 3.47Å; I50-E54 PolarHBondContact O-N 2.87Å; I50-L61 HydrophobicContact CB-CD1 4.23Å; I50-L61 HydrophobicContact CG1-CD1 4.45Å; I50-L61 HydrophobicContact CG2-CB 4.22Å; I50-L61 HydrophobicContact CG2-CD1 3.8Å
51	T	52.9	Low	48.1	Very low	55 Å²	55	98.1 Å²	98.1	34%	0.337	47%	0.473	S	S	.	.	H	α-helix	trans	-61.7	-38.5	-179.8	-49.8	0	0	0	0	112.2	Y47 N48 E54 H55	Y47-T51 HydrophobicContact CE1-CG2 3.75Å; N48-T51 WeakPolarHBondContact O-CA 3.47Å; N48-T51 WeakPolarHBondContact O-CB 3.26Å; N48-T51 PolarHBondContact O-N 3.36Å; T51-E54 PolarHBondContact O-N 3.16Å; T51-H55 VanDerWaalsContact O-CB 3.22Å; T51-H55 WeakPolarHBondContact O-CB 3.35Å; T51-H55 PolarHBondContact O-N 2.65Å
52	Y	49	Very low	49.7	Very low	66 Å²	66	96.4 Å²	96.4	26%	0.259	47%	0.469	S	S	.	.	H	α-helix	trans	-62	-48	174.8	173.6	-96.7	0	0	0	111.9	E40 N48 L49 I50 H55 K56	E40-Y52 PolarHBondContact OE2-OH 2.81Å; N48-Y52 PolarHBondContact O-N 3.41Å; L49-Y52 PolarHBondContact O-N 3.42Å; I50-Y52 VanDerWaalsContact C-N 3.32Å; I50-Y52 PolarHBondContact O-N 3Å; Y52-H55 PolarHBondContact O-N 2.86Å; Y52-K56 HydrophobicContact CE1-CD 3.78Å; Y52-K56 HydrophobicContact CE2-CD 4.03Å; Y52-K56 WeakPolarHBondContact O-CB 3.16Å; Y52-K56 PolarHBondContact O-N 3.05Å; Y52-K56 WeakPolarHBondContact OH-CD 3.44Å; Y52-K56 PolarHBondContact OH-NZ 3.27Å
53	I	52.8	Low	50.9	Low	17 Å²	17	94.9 Å²	94.9	9%	0.087	46%	0.459	C	S	.	.	H	α-helix	trans	-63	-45.7	178.7	-71.7	172.1	0	0	0	110	I17 L49 I50 H55 Y57 I59 L61	I17-I53 HydrophobicContact CG2-CD1 4.24Å; L49-I53 HydrophobicContact CG-CD1 4.1Å; L49-I53 WeakPolarHBondContact O-CB 2.98Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.17Å; L49-I53 PolarHBondContact O-N 2.88Å; I50-I53 PolarHBondContact O-N 3.33Å; I53-H55 VanDerWaalsContact C-N 3.35Å; I53-H55 PolarHBondContact O-N 3.38Å; I53-Y57 HydrophobicContact CB-CD2 4.43Å; I53-Y57 HydrophobicContact CG2-CD2 4.02Å; I53-Y57 WeakPolarHBondContact O-CB 3.47Å; I53-Y57 WeakPolarHBondContact O-CD2 3.17Å; I53-Y57 PolarHBondContact O-N 3.05Å; I53-I59 HydrophobicContact CG2-CD1 3.71Å; I53-I59 HydrophobicContact CG2-CG1 4.15Å; I53-L61 HydrophobicContact CB-CD1 4.07Å; I53-L61 HydrophobicContact CG2-CD1 3.81Å; I53-L61 HydrophobicContact CG2-CD2 4.24Å; I53-L61 HydrophobicContact CG2-CG 4.27Å
54	E	57	Low	51.8	Low	45 Å²	45	89.5 Å²	89.5	21%	0.21	43%	0.429	C	S	.	.	H	α-helix	trans	-59.6	-45.7	178.4	-71.7	-174.8	145.5	0	0	111.9	I50 T51 K58 I59 L61	I50-E54 HydrophobicContact CG2-CG 4.33Å; I50-E54 WeakPolarHBondContact O-CB 3.19Å; I50-E54 VanDerWaalsContact O-CG 3.27Å; I50-E54 WeakPolarHBondContact O-CG 3.47Å; I50-E54 PolarHBondContact O-N 2.87Å; T51-E54 PolarHBondContact O-N 3.16Å; E54-K58 CarbonylContact O-C 3.49Å; E54-K58 WeakPolarHBondContact O-CA 3.08Å; E54-K58 PolarHBondContact O-N 2.91Å; E54-I59 CarbonylContact C-O 3.47Å; E54-I59 WeakPolarHBondContact CA-O 3.39Å; E54-I59 WeakPolarHBondContact CB-O 3.2Å; E54-I59 WeakPolarHBondContact CG-O 3.38Å; E54-I59 PolarHBondContact O-N 3.01Å; E54-L61 HydrophobicContact CG-CB 4.1Å; E54-L61 HydrophobicContact CG-CD1 4.13Å; E54-L61 HydrophobicContact CG-CG 3.85Å; E54-L61 PolarHBondContact OE1-N 3.14Å
55	H	56.4	Low	52.9	Low	145 Å²	145	87.1 Å²	87.1	67%	0.671	42%	0.415	S	S	*	.	H	α-helix	trans	-72.5	-48.4	-178.5	-169.3	-101.3	0	0	0	112.6	T51 Y52 I53 Y57 K58	T51-H55 VanDerWaalsContact O-CB 3.22Å; T51-H55 WeakPolarHBondContact O-CB 3.35Å; T51-H55 PolarHBondContact O-N 2.65Å; Y52-H55 PolarHBondContact O-N 2.86Å; I53-H55 VanDerWaalsContact C-N 3.35Å; I53-H55 PolarHBondContact O-N 3.38Å; H55-Y57 PolarHBondContact O-N 3.47Å; H55-K58 PolarHBondContact O-N 3.5Å
56	K	53.6	Low	53.6	Low	83 Å²	83	85.7 Å²	85.7	36%	0.361	41%	0.407	S	S	.	.	H	α-helix	trans	-65.6	-41.7	-177	-177.7	163.5	-179.7	169.5	0	111.7	E40 Y52	E40-K56 IonicContact OE2-NZ 2.88Å; E40-K56 PolarHBondContact OE2-NZ 3.29Å; Y52-K56 HydrophobicContact CE1-CD 3.78Å; Y52-K56 HydrophobicContact CE2-CD 4.03Å; Y52-K56 WeakPolarHBondContact O-CB 3.16Å; Y52-K56 PolarHBondContact O-N 3.05Å; Y52-K56 WeakPolarHBondContact OH-CD 3.44Å; Y52-K56 PolarHBondContact OH-NZ 3.27Å
57	Y	52.8	Low	54	Low	126 Å²	126	83.1 Å²	83.1	49%	0.494	39%	0.393	S	S	.	.	H	α-helix	trans	-97.9	0.6	-177.5	-59.3	-73.2	0	0	0	113.3	I53 H55 I59	I53-Y57 HydrophobicContact CB-CD2 4.43Å; I53-Y57 HydrophobicContact CG2-CD2 4.02Å; I53-Y57 WeakPolarHBondContact O-CB 3.47Å; I53-Y57 WeakPolarHBondContact O-CD2 3.17Å; I53-Y57 PolarHBondContact O-N 3.05Å; H55-Y57 PolarHBondContact O-N 3.47Å; Y57-I59 PolarHBondContact O-N 2.83Å
58	K	58.4	Low	54.4	Low	195 Å²	195	80.3 Å²	80.3	85%	0.848	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	41.6	-175.9	-59.7	-174	177.7	-176.4	0	112.2	E54 H55	E54-K58 CarbonylContact O-C 3.49Å; E54-K58 WeakPolarHBondContact O-CA 3.08Å; E54-K58 PolarHBondContact O-N 2.91Å; H55-K58 PolarHBondContact O-N 3.5Å
59	I	53.5	Low	54.7	Low	43 Å²	43	78.5 Å²	78.5	22%	0.221	38%	0.383	C	S	.	.			trans	-111.7	155.1	176.4	62.6	178.4	0	0	0	110.1	I15 I53 E54 Y57 L61	I15-I59 HydrophobicContact CD1-CD1 4.39Å; I15-I59 HydrophobicContact CG2-CD1 4.4Å; I53-I59 HydrophobicContact CG2-CD1 3.71Å; I53-I59 HydrophobicContact CG2-CG1 4.15Å; E54-I59 CarbonylContact C-O 3.47Å; E54-I59 WeakPolarHBondContact CA-O 3.39Å; E54-I59 WeakPolarHBondContact CB-O 3.2Å; E54-I59 WeakPolarHBondContact CG-O 3.38Å; E54-I59 PolarHBondContact O-N 3.01Å; Y57-I59 PolarHBondContact O-N 2.83Å; I59-L61 HydrophobicContact CD1-CD2 3.87Å; I59-L61 HydrophobicContact CD1-CG 4.49Å; I59-L61 HydrophobicContact CG1-CD2 4.42Å
60	N	61.3	Low	54.9	Low	78 Å²	78	82 Å²	82	42%	0.417	39%	0.39	S	S	.	.			trans	-110.7	106	172.3	-179.6	-25.2	0	0	0	108.4	N62 M63 Y64	N60-N62 PolarHBondContact O-N 3.12Å; N60-N62 VanDerWaalsContact OD1-CB 3.26Å; N60-N62 WeakPolarHBondContact OD1-CB 3.21Å; N60-N62 PolarHBondContact OD1-N 2.7Å; N60-M63 HydrophobicContact CB-CG 4.15Å; N60-M63 HydrophobicContact CB-SD 4.47Å; N60-M63 WeakPolarHBondContact O-CB 3.17Å; N60-M63 PolarHBondContact O-N 3.28Å; N60-M63 VanDerWaalsContact O-N 3.11Å; N60-Y64 WeakPolarHBondContact O-CD2 3.3Å; N60-Y64 WeakPolarHBondContact O-CE2 3.48Å
61	L	57.8	Low	54.9	Low	7 Å²	7	81 Å²	81	4%	0.037	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-68.8	-21.4	-175.4	-71.5	176.3	0	0	0	112.2	I50 I53 E54 I59 M63 Y64 L66	I50-L61 HydrophobicContact CB-CD1 4.23Å; I50-L61 HydrophobicContact CG1-CD1 4.45Å; I50-L61 HydrophobicContact CG2-CB 4.22Å; I50-L61 HydrophobicContact CG2-CD1 3.8Å; I53-L61 HydrophobicContact CB-CD1 4.07Å; I53-L61 HydrophobicContact CG2-CD1 3.81Å; I53-L61 HydrophobicContact CG2-CD2 4.24Å; I53-L61 HydrophobicContact CG2-CG 4.27Å; E54-L61 HydrophobicContact CG-CB 4.1Å; E54-L61 HydrophobicContact CG-CD1 4.13Å; E54-L61 HydrophobicContact CG-CG 3.85Å; E54-L61 PolarHBondContact OE1-N 3.14Å; I59-L61 HydrophobicContact CD1-CD2 3.87Å; I59-L61 HydrophobicContact CD1-CG 4.49Å; I59-L61 HydrophobicContact CG1-CD2 4.42Å; L61-M63 PolarHBondContact O-N 2.98Å; L61-Y64 PolarHBondContact O-N 3.48Å; L61-L66 HydrophobicContact CD2-CD2 4.23Å
62	N	64.1	Low	54.8	Low	118 Å²	118	84.4 Å²	84.4	63%	0.631	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22.7	172.3	-75.9	-34.3	0	0	0	112.8	N60 Y64 K85	N60-N62 PolarHBondContact O-N 3.12Å; N60-N62 VanDerWaalsContact OD1-CB 3.26Å; N60-N62 WeakPolarHBondContact OD1-CB 3.21Å; N60-N62 PolarHBondContact OD1-N 2.7Å; N62-Y64 PolarHBondContact O-N 2.85Å; N62-K85 VanDerWaalsContact O-CD 3.26Å; N62-K85 WeakPolarHBondContact O-CD 3.31Å; N62-K85 VanDerWaalsContact O-CE 3.3Å; N62-K85 WeakPolarHBondContact O-CE 3.41Å; N62-K85 PolarHBondContact O-NZ 3.32Å
63	M	58.5	Low	54.7	Low	61 Å²	61	86.5 Å²	86.5	30%	0.3	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-76.9	5.9	172.8	-58.9	-167.4	113.8	0	0	113.1	N60 L61 R84 K85	N60-M63 HydrophobicContact CB-CG 4.15Å; N60-M63 HydrophobicContact CB-SD 4.47Å; N60-M63 WeakPolarHBondContact O-CB 3.17Å; N60-M63 PolarHBondContact O-N 3.28Å; N60-M63 VanDerWaalsContact O-N 3.11Å; L61-M63 PolarHBondContact O-N 2.98Å; M63-R84 CarbonylContact O-C 3.56Å; M63-R84 WeakPolarHBondContact O-CA 3.22Å; M63-R84 WeakPolarHBondContact O-CG 3.26Å; M63-K85 PolarHBondContact O-N 3.22Å
64	Y	56.1	Low	54.6	Low	17 Å²	17	92.6 Å²	92.6	7%	0.067	43%	0.434	C	S	.	.	B	Isolated β-bridge	trans	-128.6	143	-176.8	-59.3	-91.5	0	0	0	112.1	Q13 I15 N60 L61 N62 L66 R84 K85	Q13-Y64 PolarHBondContact OE1-OH 2.91Å; I15-Y64 HydrophobicContact CD1-CD1 3.71Å; I15-Y64 HydrophobicContact CD1-CD2 4.12Å; I15-Y64 HydrophobicContact CD1-CE1 3.66Å; I15-Y64 HydrophobicContact CD1-CE2 4.06Å; I15-Y64 HydrophobicContact CD1-CG 3.95Å; I15-Y64 HydrophobicContact CG1-CE1 4.5Å; N60-Y64 WeakPolarHBondContact O-CD2 3.3Å; N60-Y64 WeakPolarHBondContact O-CE2 3.48Å; L61-Y64 PolarHBondContact O-N 3.48Å; N62-Y64 PolarHBondContact O-N 2.85Å; Y64-L66 PolarHBondContact O-N 3.44Å; Y64-L66 VanDerWaalsContact O-N 3.11Å; Y64-R84 HydrophobicContact CD1-CB 4.01Å; Y64-R84 HydrophobicContact CD1-CG 4.2Å; Y64-R84 HydrophobicContact CE1-CB 4Å; Y64-R84 HydrophobicContact CE1-CG 3.99Å; Y64-K85 WeakPolarHBondContact O-CE 3.49Å
65	Y	55.7	Low	54.8	Low	116 Å²	116	97.8 Å²	97.8	46%	0.455	46%	0.459	S	S	.	.			trans	-82.1	82.5	172.7	-69.3	-69.6	0	0	0	109.6	N67 S68 P83 K85	Y65-N67 PolarHBondContact O-N 3.18Å; Y65-N67 VanDerWaalsContact O-N 3.16Å; Y65-S68 WeakPolarHBondContact O-CA 3.22Å; Y65-S68 PolarHBondContact O-N 3Å; Y65-P83 PolarHBondContact N-O 2.93Å; Y65-K85 HydrophobicContact CD1-CD 4.14Å; Y65-K85 HydrophobicContact CD1-CG 3.87Å; Y65-K85 HydrophobicContact CD2-CB 4.38Å; Y65-K85 HydrophobicContact CD2-CG 3.71Å; Y65-K85 HydrophobicContact CE1-CD 3.92Å; Y65-K85 HydrophobicContact CE1-CG 3.78Å; Y65-K85 HydrophobicContact CE2-CB 3.98Å; Y65-K85 HydrophobicContact CE2-CG 3.64Å; Y65-K85 HydrophobicContact CG-CG 3.82Å
66	L	54.1	Low	54.5	Low	58 Å²	58	98 Å²	98	30%	0.304	47%	0.465	S	S	.	.	G	3₁₀ helix	trans	-55.8	-32.9	178.9	-60	173.3	0	0	0	112.4	L61 Y64 S68 T69 I82	L61-L66 HydrophobicContact CD2-CD2 4.23Å; Y64-L66 PolarHBondContact O-N 3.44Å; Y64-L66 VanDerWaalsContact O-N 3.11Å; L66-S68 PolarHBondContact O-N 3.41Å; L66-T69 WeakPolarHBondContact O-CB 3.18Å; L66-T69 PolarHBondContact O-N 3.11Å; L66-T69 PolarHBondContact O-OG1 3.36Å; L66-I82 HydrophobicContact CD2-CD1 4.01Å; L66-I82 HydrophobicContact CD2-CG2 4.14Å
67	N	52.3	Low	54	Low	132 Å²	132	97.5 Å²	97.5	71%	0.706	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-73	-10.7	176.9	-61.2	-10	0	0	0	113.7	Y65	Y65-N67 PolarHBondContact O-N 3.18Å; Y65-N67 VanDerWaalsContact O-N 3.16Å
68	S	50.1	Low	53.7	Low	59 Å²	59	92.9 Å²	92.9	41%	0.413	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-108.8	18.9	179.4	-55	0	0	0	0	112.1	Y65 L66 R70 P83	Y65-S68 WeakPolarHBondContact O-CA 3.22Å; Y65-S68 PolarHBondContact O-N 3Å; L66-S68 PolarHBondContact O-N 3.41Å; S68-R70 PolarHBondContact O-N 3.15Å; S68-P83 VanDerWaalsContact O-CD 3.26Å; S68-P83 WeakPolarHBondContact O-CD 3.3Å
69	T	54.2	Low	53.2	Low	54 Å²	54	85.7 Å²	85.7	33%	0.331	42%	0.418	S	S	.	.			trans	-57.8	131	177.2	-62.2	0	0	0	0	110.9	L66 I80 I81 I82	L66-T69 WeakPolarHBondContact O-CB 3.18Å; L66-T69 PolarHBondContact O-N 3.11Å; L66-T69 PolarHBondContact O-OG1 3.36Å; T69-I80 HydrophobicContact CG2-CG2 3.44Å; T69-I80 VanDerWaalsContact CG2-CG2 3.44Å; T69-I81 WeakPolarHBondContact CA-O 3.45Å; T69-I82 HydrophobicContact CG2-CG1 4.05Å
70	R	50.1	Low	53.2	Low	177 Å²	177	85 Å²	85	67%	0.668	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	135.7	174.6	-62.3	179.8	179	-176	-2.4	109.2	S68 I81	S68-R70 PolarHBondContact O-N 3.15Å; R70-I81 HydrophobicContact CB-CB 4.35Å; R70-I81 PolarHBondContact N-O 2.97Å; R70-I81 PolarHBondContact O-N 3.06Å
71	V	52.5	Low	52.8	Low	50 Å²	50	82.4 Å²	82.4	30%	0.303	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	127.3	176.3	-174	0	0	0	0	108.6	L28 L31 V78 Y79 I80	L28-V71 HydrophobicContact CD1-CG2 4.11Å; L28-V71 HydrophobicContact CD2-CB 4.31Å; L28-V71 HydrophobicContact CD2-CG2 3.87Å; L31-V71 HydrophobicContact CD1-CG1 4.08Å; V71-V78 HydrophobicContact CG1-CG1 3.52Å; V71-Y79 CarbonylContact C-O 3.58Å; V71-Y79 WeakPolarHBondContact CA-O 3.09Å; V71-I80 HydrophobicContact CG2-CG1 4.39Å
72	K	50.5	Low	52.6	Low	126 Å²	126	82.3 Å²	82.3	55%	0.548	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.6	172.3	-72.9	-173.5	179.5	175.4	0	109	Y79 I81	K72-Y79 PolarHBondContact N-O 3.08Å; K72-Y79 WeakPolarHBondContact O-CA 3.4Å; K72-Y79 WeakPolarHBondContact O-CB 3.26Å; K72-Y79 PolarHBondContact O-N 2.99Å; K72-I81 HydrophobicContact CD-CD1 3.85Å; K72-I81 HydrophobicContact CG-CD1 4.21Å
73	Q	47.6	Very low	51.9	Low	110 Å²	110	79 Å²	79	51%	0.514	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.2	172.9	-176.3	176.5	-9.9	0	0	109.8	Q75 I77 V78	Q73-Q75 PolarHBondContact NE2-O 3.22Å; Q73-I77 WeakPolarHBondContact CA-O 3.19Å; Q73-V78 HydrophobicContact CG-CG2 4.34Å
74	K	50.3	Low	51.7	Low	144 Å²	144	81 Å²	81	63%	0.626	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	116	169.5	-169.8	177.7	-179.7	179.3	0	108.2	N76 I77 Y79	K74-N76 PolarHBondContact O-N 2.97Å; K74-I77 PolarHBondContact N-O 3.44Å; K74-I77 PolarHBondContact O-N 3.22Å; K74-Y79 HydrophobicContact CB-CE2 3.96Å
75	Q	61.6	Low	51.6	Low	155 Å²	155	83.4 Å²	83.4	72%	0.724	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	-121.4	-171	-57.1	171.6	-29.5	0	0	110.3	Q73	Q73-Q75 PolarHBondContact NE2-O 3.22Å
76	N	50.2	Low	51.8	Low	149 Å²	149	83.8 Å²	83.8	80%	0.797	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	12.4	-176	-50.1	-16	0	0	0	111.7	K74	K74-N76 PolarHBondContact O-N 2.97Å
77	I	42.5	Very low	51.7	Low	73 Å²	73	83.8 Å²	83.8	37%	0.374	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	125.9	-176.9	-53.9	179	0	0	0	109.6	Q73 K74 Y79	Q73-I77 WeakPolarHBondContact CA-O 3.19Å; K74-I77 PolarHBondContact N-O 3.44Å; K74-I77 PolarHBondContact O-N 3.22Å; I77-Y79 HydrophobicContact CB-CE2 4.04Å; I77-Y79 HydrophobicContact CG2-CD2 4.25Å; I77-Y79 HydrophobicContact CG2-CE1 4.35Å; I77-Y79 HydrophobicContact CG2-CE2 3.71Å
78	V	45.5	Very low	51.7	Low	28 Å²	28	82.3 Å²	82.3	17%	0.17	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.4	172.1	-178.3	0	0	0	0	109.2	F35 V71 Q73 I80	F35-V78 HydrophobicContact CD2-CB 3.89Å; F35-V78 HydrophobicContact CD2-CG2 4.24Å; F35-V78 HydrophobicContact CE2-CB 4.07Å; V71-V78 HydrophobicContact CG1-CG1 3.52Å; Q73-V78 HydrophobicContact CG-CG2 4.34Å; V78-I80 HydrophobicContact CG1-CG1 4.43Å
79	Y	47.9	Very low	51.7	Low	45 Å²	45	86.4 Å²	86.4	18%	0.176	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	125.3	173.9	-60.8	-94.2	0	0	0	108.5	I14 V71 K72 K74 I77	I14-Y79 HydrophobicContact CD1-CD1 4.18Å; I14-Y79 HydrophobicContact CG2-CD1 4.29Å; V71-Y79 CarbonylContact C-O 3.58Å; V71-Y79 WeakPolarHBondContact CA-O 3.09Å; K72-Y79 PolarHBondContact N-O 3.08Å; K72-Y79 WeakPolarHBondContact O-CA 3.4Å; K72-Y79 WeakPolarHBondContact O-CB 3.26Å; K72-Y79 PolarHBondContact O-N 2.99Å; K74-Y79 HydrophobicContact CB-CE2 3.96Å; I77-Y79 HydrophobicContact CB-CE2 4.04Å; I77-Y79 HydrophobicContact CG2-CD2 4.25Å; I77-Y79 HydrophobicContact CG2-CE1 4.35Å; I77-Y79 HydrophobicContact CG2-CE2 3.71Å
80	I	55	Low	51.4	Low	27 Å²	27	88.5 Å²	88.5	14%	0.138	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.6	169.9	-65.1	167.7	0	0	0	106	I14 I15 I17 T69 V71 V78 I82	I14-I80 WeakPolarHBondContact CG2-O 3.43Å; I15-I80 CarbonylContact C-O 3.37Å; I15-I80 PolarHBondContact N-O 3.32Å; I15-I80 VanDerWaalsContact N-O 3.15Å; I15-I80 CarbonylContact O-C 3.49Å; I15-I80 WeakPolarHBondContact O-CB 3.04Å; I15-I80 WeakPolarHBondContact O-CG2 3.49Å; I17-I80 HydrophobicContact CB-CD1 4.36Å; I17-I80 WeakPolarHBondContact O-CD1 3.27Å; T69-I80 HydrophobicContact CG2-CG2 3.44Å; T69-I80 VanDerWaalsContact CG2-CG2 3.44Å; V71-I80 HydrophobicContact CG2-CG1 4.39Å; V78-I80 HydrophobicContact CG1-CG1 4.43Å; I80-I82 HydrophobicContact CG2-CD1 4.3Å; I80-I82 HydrophobicContact CG2-CG1 4.01Å
81	I	52.9	Low	51.1	Low	25 Å²	25	89.5 Å²	89.5	13%	0.128	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113.4	-175.6	-56.9	168.8	0	0	0	106.1	T69 R70 K72	T69-I81 WeakPolarHBondContact CA-O 3.45Å; R70-I81 HydrophobicContact CB-CB 4.35Å; R70-I81 PolarHBondContact N-O 2.97Å; R70-I81 PolarHBondContact O-N 3.06Å; K72-I81 HydrophobicContact CD-CD1 3.85Å; K72-I81 HydrophobicContact CG-CD1 4.21Å
82	I	54.1	Low	51	Low	4 Å²	4	91.5 Å²	91.5	2%	0.021	46%	0.462	C	S	.	.			trans	-112.1	112.7	179.3	-47.1	-176.3	0	0	0	106.9	I15 I17 L66 T69 I80 R84	I15-I82 HydrophobicContact CB-CD1 4Å; I15-I82 HydrophobicContact CB-CG1 4.2Å; I15-I82 HydrophobicContact CD1-CB 4.32Å; I15-I82 HydrophobicContact CD1-CD1 4.29Å; I15-I82 HydrophobicContact CG2-CD1 4.18Å; I17-I82 HydrophobicContact CD1-CD1 3.83Å; L66-I82 HydrophobicContact CD2-CD1 4.01Å; L66-I82 HydrophobicContact CD2-CG2 4.14Å; T69-I82 HydrophobicContact CG2-CG1 4.05Å; I80-I82 HydrophobicContact CG2-CD1 4.3Å; I80-I82 HydrophobicContact CG2-CG1 4.01Å; I82-R84 PolarHBondContact O-N 3.11Å
83	P	48.3	Very low	51	Low	50 Å²	50	89.6 Å²	89.6	33%	0.325	46%	0.458	S	S	.	.			trans	-66.3	135	-178.6	23	-27.3	0	0	0	110	Y65 S68	Y65-P83 PolarHBondContact N-O 2.93Å; S68-P83 VanDerWaalsContact O-CD 3.26Å; S68-P83 WeakPolarHBondContact O-CD 3.3Å
84	R	53.5	Low	51.2	Low	101 Å²	101	88.5 Å²	88.5	38%	0.381	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-71.1	138.3	175.5	-164.4	175.4	172.9	170.8	-7.4	109.3	M63 Y64 I82 L86	M63-R84 CarbonylContact O-C 3.56Å; M63-R84 WeakPolarHBondContact O-CA 3.22Å; M63-R84 WeakPolarHBondContact O-CG 3.26Å; Y64-R84 HydrophobicContact CD1-CB 4.01Å; Y64-R84 HydrophobicContact CD1-CG 4.2Å; Y64-R84 HydrophobicContact CE1-CB 4Å; Y64-R84 HydrophobicContact CE1-CG 3.99Å; I82-R84 PolarHBondContact O-N 3.11Å; R84-L86 PolarHBondContact O-N 2.78Å; R84-L86 VanDerWaalsContact O-N 3.14Å
85	K	55.7	Low	51.3	Low	68 Å²	68	85.2 Å²	85.2	30%	0.296	45%	0.445	S	S	.	.			trans	-66.6	106.3	163.4	-55.4	-169.7	-171.6	152.1	0	106.8	N62 M63 Y64 Y65 T87	N62-K85 VanDerWaalsContact O-CD 3.26Å; N62-K85 WeakPolarHBondContact O-CD 3.31Å; N62-K85 VanDerWaalsContact O-CE 3.3Å; N62-K85 WeakPolarHBondContact O-CE 3.41Å; N62-K85 PolarHBondContact O-NZ 3.32Å; M63-K85 PolarHBondContact O-N 3.22Å; Y64-K85 WeakPolarHBondContact O-CE 3.49Å; Y65-K85 HydrophobicContact CD1-CD 4.14Å; Y65-K85 HydrophobicContact CD1-CG 3.87Å; Y65-K85 HydrophobicContact CD2-CB 4.38Å; Y65-K85 HydrophobicContact CD2-CG 3.71Å; Y65-K85 HydrophobicContact CE1-CD 3.92Å; Y65-K85 HydrophobicContact CE1-CG 3.78Å; Y65-K85 HydrophobicContact CE2-CB 3.98Å; Y65-K85 HydrophobicContact CE2-CG 3.64Å; Y65-K85 HydrophobicContact CG-CG 3.82Å; K85-T87 PolarHBondContact O-N 3Å; K85-T87 VanDerWaalsContact O-N 3.12Å
86	L	58.5	Low	50.6	Low	125 Å²	125	80.9 Å²	80.9	65%	0.654	43%	0.427	S	S	*	.			trans	-67.7	108.3	169.9	-69.7	165.7	0	0	0	106.9	R84	R84-L86 PolarHBondContact O-N 2.78Å; R84-L86 VanDerWaalsContact O-N 3.14Å
87	T	51.9	Low	50.6	Low	57 Å²	57	76.3 Å²	76.3	35%	0.35	40%	0.402	S	S	.	.			trans	-74.6	142.3	165	49	0	0	0	0	108	K85 D89 N90	K85-T87 PolarHBondContact O-N 3Å; K85-T87 VanDerWaalsContact O-N 3.12Å; T87-D89 PolarHBondContact O-N 2.84Å; T87-N90 PolarHBondContact O-N 3Å; T87-N90 PolarHBondContact OG1-ND2 2.95Å
88	S	53.1	Low	51.2	Low	102 Å²	102	76.6 Å²	76.6	71%	0.713	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-52.2	-19.5	-178.3	37.9	0	0	0	0	114.5	N90	S88-N90 PolarHBondContact O-N 2.89Å
89	D	50.8	Low	51.7	Low	145 Å²	145	80.3 Å²	80.3	78%	0.775	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-73.9	-4.8	175.7	-56.4	-41.2	0	0	0	114.6	T87	T87-D89 PolarHBondContact O-N 2.84Å
90	N	46.5	Very low	52	Low	97 Å²	97	83.3 Å²	83.3	52%	0.519	44%	0.443	S	S	.	.	G	3₁₀ helix	trans	-111.9	17.7	-178.3	-66.5	-60.7	0	0	0	113.9	T87 S88	T87-N90 PolarHBondContact O-N 3Å; T87-N90 PolarHBondContact OG1-ND2 2.95Å; S88-N90 PolarHBondContact O-N 2.89Å
91	I	43.5	Very low	51.7	Low	198 Å²	198	88.4 Å²	88.4	100%	1.015	47%	0.471	S	S	*	.			trans	-115.9	0	175	-56.5	177.5	0	0	0	109.4

Retrieved 91 of 91 residues in 58.4 ms (Link to these results)

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