A0A3Q0KDH5_SCHMA Loading...

Putative lipopolysaccharide-induced transcription factor regulating tumor necrosis factor alpha AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KDH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 121 aa.

						>A0A3Q0KDH5_SCHMA|A0A3Q0KDH5
MSDSREDPPYPKSTEVDGFPQPYPPQYPDTVIAEQPCPVITDSHFAPGPDPVNTMCPYCHKDITTVVTYKIGILTWVGCFGIFLVGGIFGCCLIPFCCDSCKDADHRCPVCNRDLGLYRRC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	50.7	Low	64.1	Low	242 Å²	242	155.7 Å²	155.7	100%	1.192	82%	0.818	S	S	*	*				0	131	0	-97.9	72.8	156.9	0	0	108.3
2	S	63	Low	63.7	Low	116 Å²	116	159.5 Å²	159.5	81%	0.811	82%	0.823	S	S	*	*			trans	-53.9	140.5	178.4	-33.3	0	0	0	0	112.3
3	D	56.9	Low	63.2	Low	162 Å²	162	155.8 Å²	155.8	87%	0.866	82%	0.819	S	S	*	*			trans	-141.5	124.9	146.2	-159.4	47.2	0	0	0	109.3
4	S	65.7	Low	62.7	Low	90 Å²	90	153.9 Å²	153.9	63%	0.629	82%	0.818	S	S	*	*			trans	-79.6	121.2	-163.9	-57	0	0	0	0	109.7	E6	S4-E6 PolarHBondContact O-N 3.39Å; S4-E6 VanDerWaalsContact O-N 3.16Å
5	R	68.4	Low	61.6	Low	235 Å²	235	156.3 Å²	156.3	89%	0.887	82%	0.822	S	S	*	*			trans	-75.6	102.5	164.5	-69.4	-169.5	-175.6	104.6	1.1	107.9	D7	R5-D7 PolarHBondContact O-N 3.16Å
6	E	69.9	Low	61.2	Low	184 Å²	184	154.9 Å²	154.9	86%	0.86	82%	0.822	S	S	*	*			trans	-68.4	111	164.4	-74.8	163.1	87.4	0	0	108.6	S4	S4-E6 PolarHBondContact O-N 3.39Å; S4-E6 VanDerWaalsContact O-N 3.16Å
7	D	68.5	Low	60.3	Low	148 Å²	148	155.1 Å²	155.1	79%	0.791	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-79.5	139.3	169.7	-81.7	-54	0	0	0	110.3	R5	R5-D7 PolarHBondContact O-N 3.16Å
8	P	70	Confident	59.3	Low	107 Å²	107	149.8 Å²	149.8	70%	0.695	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-70.8	157.3	-172	27.7	-34.5	0	0	0	113.3	Y10	P8-Y10 PolarHBondContact O-N 3.34Å
9	P	70.1	Confident	58.8	Low	129 Å²	129	151.9 Å²	151.9	84%	0.838	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-64.2	126.2	-179.2	-15.9	28.5	0	0	0	112
10	Y	55.8	Low	58.4	Low	202 Å²	202	150.8 Å²	150.8	79%	0.792	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-65.4	133.7	173.8	-177.5	-94.2	0	0	0	111.2	P8	P8-Y10 PolarHBondContact O-N 3.34Å
11	P	65.8	Low	58	Low	98 Å²	98	151.1 Å²	151.1	64%	0.636	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-72.9	130.3	-179.9	28.4	-32.8	0	0	0	111.6	S13	P11-S13 PolarHBondContact O-N 3.45Å
12	K	59	Low	58.4	Low	201 Å²	201	145.3 Å²	145.3	87%	0.874	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-62.4	117	170.2	-76.8	-179.3	-177.9	171.6	0	109.5	T14	K12-T14 PolarHBondContact O-N 3.17Å
13	S	57.1	Low	57.9	Low	111 Å²	111	149.5 Å²	149.5	78%	0.776	79%	0.79	S	S	*	*			trans	-62.4	115.6	172.1	49.4	0	0	0	0	109.6	P11	P11-S13 PolarHBondContact O-N 3.45Å
14	T	56.1	Low	57.9	Low	130 Å²	130	146.4 Å²	146.4	80%	0.798	78%	0.779	S	S	*	*			trans	-73.9	134.6	171.4	-6	0	0	0	0	108.7	K12 V16	K12-T14 PolarHBondContact O-N 3.17Å; T14-V16 PolarHBondContact O-N 3.42Å
15	E	47	Very low	57.4	Low	189 Å²	189	148.3 Å²	148.3	88%	0.883	79%	0.789	S	S	*	*			trans	-55.6	120.2	176.1	-164.4	167.6	119.3	0	0	110.5
16	V	54.7	Low	56.4	Low	135 Å²	135	145.4 Å²	145.4	82%	0.818	79%	0.785	S	S	*	*			trans	-118.9	108	173.1	177.5	0	0	0	0	108	T14 G18	T14-V16 PolarHBondContact O-N 3.42Å; V16-G18 PolarHBondContact O-N 3.21Å
17	D	45.9	Very low	55.6	Low	158 Å²	158	145.7 Å²	145.7	85%	0.845	78%	0.78	S	S	*	*			trans	-48.3	124.6	163.9	-85.9	-55.6	0	0	0	111.2
18	G	43.2	Very low	54.8	Low	59 Å²	59	143.2 Å²	143.2	61%	0.608	77%	0.772	S	S	*	*			trans	-179	95.3	178	0	0	0	0	0	116.7	V16	V16-G18 PolarHBondContact O-N 3.21Å
19	F	48.4	Very low	53.7	Low	190 Å²	190	145.6 Å²	145.6	83%	0.833	78%	0.779	S	S	*	*			trans	76.2	116.7	154.5	-64.7	-83.6	0	0	0	119.7	Q21	F19-Q21 PolarHBondContact O-N 2.83Å
20	P	51.6	Low	52.6	Low	129 Å²	129	144.3 Å²	144.3	84%	0.838	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-65.9	120.2	171.3	-13.1	26.9	0	0	0	111.2
21	Q	50.4	Low	52.1	Low	159 Å²	159	141 Å²	141	74%	0.743	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-72.3	140.3	167.4	-65.7	-71.2	-58.2	0	0	109.6	F19 Y23	F19-Q21 PolarHBondContact O-N 2.83Å; Q21-Y23 PolarHBondContact O-N 3.37Å
22	P	58.8	Low	51.2	Low	120 Å²	120	143.2 Å²	143.2	78%	0.779	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-63.4	122.1	176.2	-15	28	0	0	0	110.3
23	Y	51.5	Low	50.5	Low	203 Å²	203	137 Å²	137	80%	0.796	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-64.8	135.2	178.4	-115.4	83.4	0	0	0	110.9	Q21	Q21-Y23 PolarHBondContact O-N 3.37Å
24	P	58.4	Low	50	Low	98 Å²	98	140.5 Å²	140.5	64%	0.636	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-64.5	152.6	167.5	28	-32.6	0	0	0	110.2	Q26	P24-Q26 PolarHBondContact O-N 3.1Å
25	P	55.1	Low	49.6	Very low	129 Å²	129	142.6 Å²	142.6	84%	0.838	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-57	123.7	-172.3	22.3	-32.8	0	0	0	111.4	Y27	P25-Y27 PolarHBondContact O-N 3.46Å
26	Q	47.3	Very low	49.6	Very low	174 Å²	174	139.1 Å²	139.1	81%	0.813	76%	0.759	S	S	*	*			trans	-65.8	102.8	170.3	-70.9	-178.3	-25.5	0	0	108.4	P24	P24-Q26 PolarHBondContact O-N 3.1Å
27	Y	53.5	Low	49.4	Very low	190 Å²	190	135.8 Å²	135.8	75%	0.745	74%	0.741	S	S	*	*			trans	-65.1	133.8	162.4	-164.2	-98.8	0	0	0	106.8	P25 D29	P25-Y27 PolarHBondContact O-N 3.46Å; Y27-D29 PolarHBondContact O-N 3.02Å
28	P	50	Low	49.8	Very low	96 Å²	96	132.6 Å²	132.6	62%	0.623	73%	0.728	S	S	*	*			trans	-52.7	131.6	-179.4	21.5	-32.1	0	0	0	109	T30	P28-T30 PolarHBondContact O-N 3.41Å
29	D	47.3	Very low	50.2	Low	158 Å²	158	135.5 Å²	135.5	85%	0.845	73%	0.734	S	S	*	*			trans	-53.1	86.6	171.7	-69.6	-59.1	0	0	0	108.7	Y27 V31	Y27-D29 PolarHBondContact O-N 3.02Å; D29-V31 PolarHBondContact O-N 3.46Å
30	T	47.8	Very low	50.3	Low	101 Å²	101	132.6 Å²	132.6	62%	0.62	73%	0.726	S	S	*	*			trans	-61.3	106	149.5	38.1	0	0	0	0	103.7	P28 I32	P28-T30 PolarHBondContact O-N 3.41Å; T30-I32 PolarHBondContact O-N 2.82Å
31	V	45.7	Very low	50.2	Low	133 Å²	133	133 Å²	133	81%	0.806	73%	0.726	S	S	*	*			trans	-46.7	89.3	167.9	180	0	0	0	0	107.1	D29 A33	D29-V31 PolarHBondContact O-N 3.46Å; V31-A33 PolarHBondContact O-N 3.29Å
32	I	46.9	Very low	50.1	Low	145 Å²	145	130.5 Å²	130.5	74%	0.744	72%	0.718	S	S	*	*			trans	-73.7	94	158.6	-60.6	179.6	0	0	0	101	T30 E34	T30-I32 PolarHBondContact O-N 2.82Å; I32-E34 VanDerWaalsContact C-N 3.32Å; I32-E34 PolarHBondContact O-N 3.27Å
33	A	44.3	Very low	49.8	Very low	69 Å²	69	130 Å²	130	57%	0.57	72%	0.718	S	S	*	*			trans	-50	110.8	159.8	0	0	0	0	0	105.2	V31 Q35	V31-A33 PolarHBondContact O-N 3.29Å; A33-Q35 PolarHBondContact O-N 3.49Å
34	E	46.7	Very low	50.1	Low	186 Å²	186	127.5 Å²	127.5	87%	0.869	71%	0.713	S	S	*	*			trans	-56.5	89	160.8	-94.4	177.8	120.7	0	0	105.2	I32 P36	I32-E34 VanDerWaalsContact C-N 3.32Å; I32-E34 PolarHBondContact O-N 3.27Å; E34-P36 VanDerWaalsContact O-CD 3.29Å; E34-P36 WeakPolarHBondContact O-CD 3.07Å
35	Q	46.7	Very low	50.4	Low	173 Å²	173	125.9 Å²	125.9	81%	0.808	70%	0.696	S	S	*	*			trans	-62.7	120.4	164.4	-89.5	-174	-49.3	0	0	105.1	A33 C37	A33-Q35 PolarHBondContact O-N 3.49Å; Q35-C37 PolarHBondContact O-N 3.31Å
36	P	46.9	Very low	50.8	Low	117 Å²	117	123.1 Å²	123.1	76%	0.76	68%	0.684	S	S	*	*			trans	-55.1	119.1	177	-20.5	30.6	0	0	0	107.9	E34 P38	E34-P36 VanDerWaalsContact O-CD 3.29Å; E34-P36 WeakPolarHBondContact O-CD 3.07Å; P36-P38 WeakPolarHBondContact O-CD 3.41Å; P36-P38 VanDerWaalsContact O-N 3.08Å
37	C	51.9	Low	51.5	Low	64 Å²	64	116.6 Å²	116.6	43%	0.432	66%	0.657	S	S	.	*			trans	-55.7	114.6	177.3	-175.5	0	0	0	0	108.5	Q35 V39 N53	Q35-C37 PolarHBondContact O-N 3.31Å; C37-V39 PolarHBondContact O-N 2.89Å; C37-N53 PolarHBondContact SG-ND2 3.06Å
38	P	53.2	Low	52.1	Low	91 Å²	91	108.1 Å²	108.1	59%	0.591	63%	0.628	S	S	*	*			trans	-71.2	106.1	167.5	30.3	-30	0	0	0	106.2	P36 I40	P36-P38 WeakPolarHBondContact O-CD 3.41Å; P36-P38 VanDerWaalsContact O-N 3.08Å; P38-I40 HydrophobicContact CB-CD1 4.29Å; P38-I40 HydrophobicContact CB-CG1 3.91Å; P38-I40 HydrophobicContact CG-CD1 4.37Å; P38-I40 HydrophobicContact CG-CG1 4.38Å; P38-I40 PolarHBondContact O-N 2.94Å
39	V	51	Low	52.9	Low	121 Å²	121	105.7 Å²	105.7	73%	0.733	61%	0.612	S	S	*	*			trans	-67.1	84.4	165.7	-179.7	0	0	0	0	106.3	C37 T41	C37-V39 PolarHBondContact O-N 2.89Å; V39-T41 PolarHBondContact O-N 3.27Å; V39-T41 VanDerWaalsContact O-N 3.14Å
40	I	51.5	Low	54	Low	128 Å²	128	103.4 Å²	103.4	66%	0.656	60%	0.599	S	S	*	*			trans	-82.9	89.4	174.6	-55.1	180	0	0	0	106.7	P38 D42	P38-I40 HydrophobicContact CB-CD1 4.29Å; P38-I40 HydrophobicContact CB-CG1 3.91Å; P38-I40 HydrophobicContact CG-CD1 4.37Å; P38-I40 HydrophobicContact CG-CG1 4.38Å; P38-I40 PolarHBondContact O-N 2.94Å; I40-D42 HydrophobicContact CG2-CB 4.13Å; I40-D42 PolarHBondContact O-N 3.26Å
41	T	50.1	Low	55.4	Low	138 Å²	138	102 Å²	102	85%	0.847	59%	0.593	S	S	*	*			trans	-68.3	58.7	159.4	29.7	0	0	0	0	110.6	V39	V39-T41 PolarHBondContact O-N 3.27Å; V39-T41 VanDerWaalsContact O-N 3.14Å
42	D	47.6	Very low	56.9	Low	106 Å²	106	97.9 Å²	97.9	57%	0.567	57%	0.567	S	S	*	*	S	Bend	trans	-150.1	128.1	164	-158.9	-8.1	0	0	0	109.7	I40 H44	I40-D42 HydrophobicContact CG2-CB 4.13Å; I40-D42 PolarHBondContact O-N 3.26Å; D42-H44 PolarHBondContact O-N 2.78Å; D42-H44 IonicContact OD1-CD2 3.88Å
43	S	52.9	Low	58.5	Low	111 Å²	111	94.3 Å²	94.3	78%	0.776	55%	0.55	S	S	*	.	S	Bend	trans	-73.4	45.2	-165.4	42.4	0	0	0	0	114.5
44	H	57.4	Low	59.9	Low	150 Å²	150	92.8 Å²	92.8	69%	0.694	53%	0.533	S	S	*	.			trans	-124.1	84.6	176.5	-72	-84	0	0	0	109.5	D42 A46	D42-H44 PolarHBondContact O-N 2.78Å; D42-H44 IonicContact OD1-CD2 3.88Å; H44-A46 VanDerWaalsContact C-N 3.35Å; H44-A46 PolarHBondContact O-N 3.48Å
45	F	64.1	Low	61.6	Low	63 Å²	63	89.4 Å²	89.4	28%	0.276	52%	0.519	S	S	.	.			trans	-57	102	163.7	175.7	-107.5	0	0	0	107.7	P47 V52 T54 T65 H106 L115	F45-P47 HydrophobicContact CD1-CB 4.25Å; F45-P47 HydrophobicContact CD1-CG 4.42Å; F45-P47 HydrophobicContact CE1-CB 3.58Å; F45-P47 HydrophobicContact CE1-CG 4.14Å; F45-P47 HydrophobicContact CZ-CB 3.9Å; F45-P47 WeakPolarHBondContact O-CD 3.45Å; F45-V52 HydrophobicContact CE2-CB 4.45Å; F45-T54 HydrophobicContact CD2-CG2 3.99Å; F45-T54 HydrophobicContact CE2-CG2 4.21Å; F45-T65 HydrophobicContact CE2-CG2 3.94Å; F45-T65 HydrophobicContact CZ-CG2 4.48Å; F45-H106 HydrophobicContact CZ-CB 3.79Å; F45-H106 AromaticContact CZ-CG 3.76Å; F45-H106 AromaticContact CZ-ND1 3.99Å; F45-L115 HydrophobicContact CZ-CB 4.32Å
46	A	63.7	Low	63.4	Low	72 Å²	72	81.2 Å²	81.2	60%	0.595	48%	0.481	S	S	*	.			trans	-94.1	94.9	172	0	0	0	0	0	106.7	H44 G48	H44-A46 VanDerWaalsContact C-N 3.35Å; H44-A46 PolarHBondContact O-N 3.48Å; A46-G48 PolarHBondContact O-N 2.84Å
47	P	62	Low	65.1	Low	36 Å²	36	79.6 Å²	79.6	23%	0.234	47%	0.47	C	S	.	.			trans	-61.9	130.7	178.4	31	-36.5	0	0	0	107.1	F45 Y118	F45-P47 HydrophobicContact CD1-CB 4.25Å; F45-P47 HydrophobicContact CD1-CG 4.42Å; F45-P47 HydrophobicContact CE1-CB 3.58Å; F45-P47 HydrophobicContact CE1-CG 4.14Å; F45-P47 HydrophobicContact CZ-CB 3.9Å; F45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-Y118 HydrophobicContact CB-CD2 4.38Å; P47-Y118 HydrophobicContact CB-CG 4.38Å; P47-Y118 HydrophobicContact CG-CD2 4.19Å; P47-Y118 WeakPolarHBondContact O-CD2 3.27Å; P47-Y118 WeakPolarHBondContact O-CE2 3.38Å; P47-Y118 VanDerWaalsContact O-CG 3.27Å
48	G	66.3	Low	66.6	Low	13 Å²	13	82.8 Å²	82.8	13%	0.134	47%	0.474	C	S	.	.			trans	-132.4	-171.3	-172.6	0	0	0	0	0	110.2	A46 H106 Y118	A46-G48 PolarHBondContact O-N 2.84Å; G48-H106 PolarHBondContact N-NE2 2.93Å; G48-H106 PolarHBondContact O-CE1 3.42Å; G48-H106 PolarHBondContact O-NE2 3.28Å; G48-Y118 VanDerWaalsContact C-CD1 3.42Å; G48-Y118 WeakPolarHBondContact O-CD1 3.35Å
49	P	66.1	Low	68.2	Low	45 Å²	45	79.8 Å²	79.8	29%	0.292	46%	0.455	S	S	.	.	S	Bend	trans	-62.3	-38.3	168.8	-15.5	27.9	0	0	0	112.7	Y69	P49-Y69 VanDerWaalsContact CA-OH 3.25Å; P49-Y69 WeakPolarHBondContact CA-OH 3.31Å; P49-Y69 WeakPolarHBondContact CB-OH 3.49Å; P49-Y69 PolarHBondContact O-OH 3.38Å
50	D	72.2	Confident	69.7	Low	109 Å²	109	80.2 Å²	80.2	58%	0.583	45%	0.449	S	S	*	.	S	Bend	trans	-97.2	151.5	-162.8	-58.1	-53.2	0	0	0	110.3	V52 H106	D50-V52 WeakPolarHBondContact O-CG2 3.18Å; D50-V52 PolarHBondContact O-N 3.19Å; D50-V52 VanDerWaalsContact O-N 3.14Å; D50-H106 PolarHBondContact O-CE1 3.38Å
51	P	76.7	Confident	71.1	Confident	73 Å²	73	79.2 Å²	79.2	47%	0.474	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-57.9	120	171.7	27	-35.9	0	0	0	109.7	T64 T65 V67	P51-T64 HydrophobicContact CB-CG2 3.9Å; P51-T65 WeakPolarHBondContact CB-O 3.5Å; P51-V67 HydrophobicContact CB-CG2 4.26Å
52	V	76.4	Confident	72.8	Confident	46 Å²	46	78.8 Å²	78.8	28%	0.279	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-95.4	136.7	178	-177.4	0	0	0	0	109.8	F45 D50 T65	F45-V52 HydrophobicContact CE2-CB 4.45Å; D50-V52 WeakPolarHBondContact O-CG2 3.18Å; D50-V52 PolarHBondContact O-N 3.19Å; D50-V52 VanDerWaalsContact O-N 3.14Å; V52-T65 PolarHBondContact N-OG1 3.28Å; V52-T65 WeakPolarHBondContact O-CG2 3.4Å; V52-T65 PolarHBondContact O-N 3.22Å; V52-T65 PolarHBondContact O-OG1 3.15Å
53	N	80.5	Confident	74.4	Confident	70 Å²	70	74.1 Å²	74.1	37%	0.374	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	118.4	167.7	-71.6	13.2	0	0	0	108.7	C37 I63 T64	C37-N53 PolarHBondContact SG-ND2 3.06Å; N53-I63 WeakPolarHBondContact CA-O 3.38Å; N53-T64 WeakPolarHBondContact OD1-CB 3.44Å; N53-T64 VanDerWaalsContact OD1-CG2 3.31Å; N53-T64 WeakPolarHBondContact OD1-CG2 3.01Å; N53-T64 PolarHBondContact OD1-OG1 3.1Å
54	T	74.7	Confident	75.9	Confident	36 Å²	36	72 Å²	72	22%	0.221	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	155.9	-176.9	-167.2	0	0	0	0	110.5	F45 C56 I63 T65 L115	F45-T54 HydrophobicContact CD2-CG2 3.99Å; F45-T54 HydrophobicContact CE2-CG2 4.21Å; T54-C56 PolarHBondContact O-N 3.22Å; T54-I63 HydrophobicContact CG2-CD1 4.26Å; T54-I63 PolarHBondContact N-O 3.48Å; T54-I63 PolarHBondContact O-N 3.06Å; T54-T65 HydrophobicContact CG2-CG2 3.8Å; T54-L115 HydrophobicContact CG2-CD1 4.5Å
55	M	82.6	Confident	77.1	Confident	116 Å²	116	64.9 Å²	64.9	57%	0.571	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	117.6	171.7	-176.9	-178.9	143.4	0	0	109.3	H60	M55-H60 HydrophobicContact CE-CB 3.85Å; M55-H60 VanDerWaalsContact CE-ND1 3.27Å; M55-H60 WeakPolarHBondContact CE-ND1 3.22Å
56	C	83.1	Confident	77.9	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	36%	0.364	C	S	.	.			trans	-64.2	126.4	178.7	173.6	0	0	0	0	111.1	T54 Y58 C59 H60 K61 I63 L115	T54-C56 PolarHBondContact O-N 3.22Å; C56-Y58 PolarHBondContact O-N 2.85Å; C56-Y58 PolarHBondContact SG-N 2.79Å; C56-Y58 VanDerWaalsContact SG-N 3.38Å; C56-C59 WeakPolarHBondContact CB-SG 3.18Å; C56-C59 PolarHBondContact SG-N 2.86Å; C56-C59 VanDerWaalsContact SG-N 3.41Å; C56-C59 PolarHBondContact SG-SG 2.92Å; C56-H60 WeakPolarHBondContact O-CA 3.27Å; C56-H60 PolarHBondContact O-N 3.01Å; C56-K61 PolarHBondContact N-O 3.39Å; C56-I63 HydrophobicContact CB-CD1 4.4Å; C56-I63 HydrophobicContact CB-CG1 3.72Å; C56-L115 HydrophobicContact CB-CD2 4.42Å
57	P	82	Confident	78.7	Confident	84 Å²	84	63.2 Å²	63.2	55%	0.545	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13.5	179.4	29.5	-35.3	0	0	0	113.2	H60 L115	P57-H60 PolarHBondContact O-CE1 2.73Å; P57-L115 HydrophobicContact CG-CD2 4.21Å
58	Y	85	Confident	79.3	Confident	130 Å²	130	64 Å²	64	51%	0.51	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-35.9	-178	-57.9	-74.3	0	0	0	113.6	C56 R113 L115	C56-Y58 PolarHBondContact O-N 2.85Å; C56-Y58 PolarHBondContact SG-N 2.79Å; C56-Y58 VanDerWaalsContact SG-N 3.38Å; Y58-R113 HydrophobicContact CD2-CB 4.08Å; Y58-R113 HydrophobicContact CD2-CG 3.76Å; Y58-R113 VanDerWaalsContact CE1-CD 3.45Å; Y58-R113 HydrophobicContact CE1-CG 4.49Å; Y58-R113 HydrophobicContact CE2-CB 4.39Å; Y58-R113 HydrophobicContact CE2-CG 3.65Å; Y58-R113 HydrophobicContact CG-CG 4.21Å; Y58-R113 VanDerWaalsContact CZ-CD 3.48Å; Y58-L115 HydrophobicContact CD2-CD2 4.05Å; Y58-L115 HydrophobicContact CE2-CD2 4.21Å
59	C	85.7	Confident	79.6	Confident	28 Å²	28	68.4 Å²	68.4	19%	0.189	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	-1.2	-178.6	72	0	0	0	0	113.8	C56 K61 C111	C56-C59 WeakPolarHBondContact CB-SG 3.18Å; C56-C59 PolarHBondContact SG-N 2.86Å; C56-C59 VanDerWaalsContact SG-N 3.41Å; C56-C59 PolarHBondContact SG-SG 2.92Å; C59-K61 PolarHBondContact O-N 2.91Å; C59-C111 HydrophobicContact CB-CB 4.16Å
60	H	82.4	Confident	79.7	Confident	131 Å²	131	71.8 Å²	71.8	61%	0.606	37%	0.372	S	S	*	.			trans	50.6	29.9	178.5	-59	-66.3	0	0	0	114	M55 C56 P57	M55-H60 HydrophobicContact CE-CB 3.85Å; M55-H60 VanDerWaalsContact CE-ND1 3.27Å; M55-H60 WeakPolarHBondContact CE-ND1 3.22Å; C56-H60 WeakPolarHBondContact O-CA 3.27Å; C56-H60 PolarHBondContact O-N 3.01Å; P57-H60 PolarHBondContact O-CE1 2.73Å
61	K	81.2	Confident	79.5	Confident	107 Å²	107	71.7 Å²	71.7	47%	0.465	37%	0.37	S	S	.	.			trans	-106.2	143.1	176	-80.5	173.9	-83.9	-151.2	0	108.9	C56 C59 I63 V110	C56-K61 PolarHBondContact N-O 3.39Å; C59-K61 PolarHBondContact O-N 2.91Å; K61-I63 HydrophobicContact CB-CG2 4.02Å; K61-I63 PolarHBondContact O-N 2.74Å; K61-V110 HydrophobicContact CD-CG1 4.09Å; K61-V110 VanDerWaalsContact CE-CG1 3.45Å
62	D	85.4	Confident	79.1	Confident	129 Å²	129	69.9 Å²	69.9	69%	0.69	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	115.8	165.9	-160.7	-28.6	0	0	0	107.7
63	I	82.8	Confident	78.9	Confident	8 Å²	8	74.3 Å²	74.3	4%	0.041	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	145.9	-176.8	59.2	87.9	0	0	0	110	N53 T54 C56 K61 T65 C108 P109 V110 L115	N53-I63 WeakPolarHBondContact CA-O 3.38Å; T54-I63 HydrophobicContact CG2-CD1 4.26Å; T54-I63 PolarHBondContact N-O 3.48Å; T54-I63 PolarHBondContact O-N 3.06Å; C56-I63 HydrophobicContact CB-CD1 4.4Å; C56-I63 HydrophobicContact CB-CG1 3.72Å; K61-I63 HydrophobicContact CB-CG2 4.02Å; K61-I63 PolarHBondContact O-N 2.74Å; I63-T65 HydrophobicContact CD1-CG2 3.82Å; I63-C108 HydrophobicContact CD1-CB 4.3Å; I63-P109 HydrophobicContact CB-CG 4.22Å; I63-V110 HydrophobicContact CG2-CB 4.25Å; I63-V110 HydrophobicContact CG2-CG2 3.57Å; I63-L115 HydrophobicContact CD1-CD1 3.5Å
64	T	83.2	Confident	78.3	Confident	66 Å²	66	75.3 Å²	75.3	41%	0.405	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	120.4	163.8	-56.3	0	0	0	0	108.4	P51 N53 P109	P51-T64 HydrophobicContact CB-CG2 3.9Å; N53-T64 WeakPolarHBondContact OD1-CB 3.44Å; N53-T64 VanDerWaalsContact OD1-CG2 3.31Å; N53-T64 WeakPolarHBondContact OD1-CG2 3.01Å; N53-T64 PolarHBondContact OD1-OG1 3.1Å; T64-P109 VanDerWaalsContact O-CD 3.22Å; T64-P109 WeakPolarHBondContact O-CD 3.42Å; T64-P109 WeakPolarHBondContact O-CG 2.84Å
65	T	82.5	Confident	78.2	Confident	1 Å²	1	75.5 Å²	75.5	1%	0.006	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-64.5	139	178.4	59.8	0	0	0	0	111.1	F45 P51 V52 T54 I63 H106 R107 L115	F45-T65 HydrophobicContact CE2-CG2 3.94Å; F45-T65 HydrophobicContact CZ-CG2 4.48Å; P51-T65 WeakPolarHBondContact CB-O 3.5Å; V52-T65 PolarHBondContact N-OG1 3.28Å; V52-T65 WeakPolarHBondContact O-CG2 3.4Å; V52-T65 PolarHBondContact O-N 3.22Å; V52-T65 PolarHBondContact O-OG1 3.15Å; T54-T65 HydrophobicContact CG2-CG2 3.8Å; I63-T65 HydrophobicContact CD1-CG2 3.82Å; T65-H106 HydrophobicContact CG2-CB 4.37Å; T65-H106 PolarHBondContact OG1-ND1 2.96Å; T65-R107 CarbonylContact C-O 3.59Å; T65-R107 WeakPolarHBondContact CA-O 3.19Å; T65-L115 HydrophobicContact CG2-CD1 3.34Å
66	V	82.3	Confident	77.9	Confident	71 Å²	71	79.1 Å²	79.1	43%	0.43	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.1	172.7	179.1	0	0	0	0	108	D105 R107 P109	V66-D105 VanDerWaalsContact O-O 3.13Å; V66-R107 HydrophobicContact CB-CB 4.46Å; V66-R107 PolarHBondContact N-O 2.92Å; V66-R107 PolarHBondContact O-N 2.97Å; V66-P109 HydrophobicContact CG2-CB 3.98Å; V66-P109 HydrophobicContact CG2-CG 4.47Å
67	V	80.3	Confident	77.5	Confident	28 Å²	28	83.1 Å²	83.1	17%	0.17	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	118.6	178.5	-173.9	0	0	0	0	109.7	P51 Y69 A104 D105 H106	P51-V67 HydrophobicContact CB-CG2 4.26Å; V67-Y69 HydrophobicContact CB-CE2 4.29Å; V67-Y69 HydrophobicContact CG1-CD2 4.05Å; V67-Y69 HydrophobicContact CG1-CE1 4.36Å; V67-Y69 HydrophobicContact CG1-CE2 3.58Å; V67-A104 HydrophobicContact CG1-CB 3.49Å; V67-A104 VanDerWaalsContact CG1-CB 3.49Å; V67-D105 CarbonylContact C-O 3.57Å; V67-D105 WeakPolarHBondContact CA-O 3.48Å; V67-H106 VanDerWaalsContact CG2-CE1 3.49Å; V67-H106 WeakPolarHBondContact CG2-CE1 2.86Å
68	T	74.6	Confident	77.2	Confident	54 Å²	54	80.3 Å²	80.3	33%	0.331	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	118.7	172.6	-53.8	0	0	0	0	109.6	D105	T68-D105 PolarHBondContact N-O 3.14Å; T68-D105 PolarHBondContact O-N 2.8Å
69	Y	71.8	Confident	76.5	Confident	104 Å²	104	78.3 Å²	78.3	41%	0.408	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	119.1	174.7	-70.8	-80.7	0	0	0	110.2	P49 V67 A104 R120	P49-Y69 VanDerWaalsContact CA-OH 3.25Å; P49-Y69 WeakPolarHBondContact CA-OH 3.31Å; P49-Y69 WeakPolarHBondContact CB-OH 3.49Å; P49-Y69 PolarHBondContact O-OH 3.38Å; V67-Y69 HydrophobicContact CB-CE2 4.29Å; V67-Y69 HydrophobicContact CG1-CD2 4.05Å; V67-Y69 HydrophobicContact CG1-CE1 4.36Å; V67-Y69 HydrophobicContact CG1-CE2 3.58Å; Y69-A104 HydrophobicContact CD1-CB 4.47Å; Y69-A104 HydrophobicContact CE1-CB 4.02Å; Y69-R120 PolarHBondContact OH-NH2 3.05Å; Y69-R120 VanDerWaalsContact OH-NH2 3.09Å
70	K	67.4	Low	76.2	Confident	116 Å²	116	83 Å²	83	50%	0.504	43%	0.431	S	S	.	.			trans	-97.7	122.2	172.1	-72.8	174.9	-178.8	145.6	0	109.6	G72 D105	K70-G72 PolarHBondContact O-N 3.19Å; K70-D105 WeakPolarHBondContact CE-OD2 3.38Å; K70-D105 IonicContact NZ-OD2 2.74Å; K70-D105 PolarHBondContact NZ-OD2 3.11Å
71	I	68.3	Low	76	Confident	108 Å²	108	78.2 Å²	78.2	55%	0.554	42%	0.416	S	S	*	.			trans	-69.8	113.8	171.5	-59.3	172.9	0	0	0	107.2	T75	I71-T75 VanDerWaalsContact CG2-CB 3.49Å; I71-T75 HydrophobicContact CG2-CG2 3.77Å
72	G	69.1	Low	75.5	Confident	34 Å²	34	74.8 Å²	74.8	35%	0.351	40%	0.402	S	S	.	.			trans	-68.4	158.8	179	0	0	0	0	0	112.4	K70 L74 T75	K70-G72 PolarHBondContact O-N 3.19Å; G72-L74 PolarHBondContact O-N 3.48Å; G72-L74 VanDerWaalsContact O-N 3.11Å; G72-T75 PolarHBondContact O-N 2.93Å
73	I	71.2	Confident	74.9	Confident	139 Å²	139	76.4 Å²	76.4	71%	0.713	40%	0.404	S	S	*	.	H	α-helix	trans	-53.2	-31.8	171	-64.7	169.9	0	0	0	110.5	T75 W76 V77	I73-T75 VanDerWaalsContact C-N 3.33Å; I73-T75 PolarHBondContact O-N 2.98Å; I73-W76 CarbonylContact O-C 3.6Å; I73-W76 WeakPolarHBondContact O-CA 3.48Å; I73-W76 WeakPolarHBondContact O-CB 3.33Å; I73-W76 PolarHBondContact O-N 3.5Å; I73-W76 VanDerWaalsContact O-N 3.08Å; I73-V77 HydrophobicContact CG2-CG2 3.88Å; I73-V77 WeakPolarHBondContact O-CG2 3.36Å; I73-V77 PolarHBondContact O-N 3.37Å
74	L	68.2	Low	74.4	Confident	91 Å²	91	81.3 Å²	81.3	48%	0.476	43%	0.429	S	S	.	.	H	α-helix	trans	-59.2	-40.1	178	-173.6	63.3	0	0	0	113	G72 W76 V77 G78 C98	G72-L74 PolarHBondContact O-N 3.48Å; G72-L74 VanDerWaalsContact O-N 3.11Å; L74-W76 VanDerWaalsContact C-N 3.3Å; L74-W76 PolarHBondContact O-N 2.9Å; L74-V77 PolarHBondContact O-N 2.93Å; L74-G78 PolarHBondContact O-N 2.83Å; L74-C98 HydrophobicContact CD2-CB 4.34Å; L74-C98 HydrophobicContact CG-CB 4.44Å
75	T	73	Confident	73.6	Confident	40 Å²	40	84.4 Å²	84.4	25%	0.245	45%	0.448	C	S	.	.	H	α-helix	trans	-63.7	-39.8	175.5	-51.2	0	0	0	0	110.8	I71 G72 I73 C79	I71-T75 VanDerWaalsContact CG2-CB 3.49Å; I71-T75 HydrophobicContact CG2-CG2 3.77Å; G72-T75 PolarHBondContact O-N 2.93Å; I73-T75 VanDerWaalsContact C-N 3.33Å; I73-T75 PolarHBondContact O-N 2.98Å; T75-C79 WeakPolarHBondContact O-CB 3.35Å; T75-C79 PolarHBondContact O-N 3.48Å
76	W	75.7	Confident	72.5	Confident	192 Å²	192	86.9 Å²	86.9	73%	0.727	47%	0.474	S	S	*	.	H	α-helix	trans	-64.7	-46.5	174.8	-80.7	82.7	0	0	0	112.2	I73 L74 G78 C79 F80	I73-W76 CarbonylContact O-C 3.6Å; I73-W76 WeakPolarHBondContact O-CA 3.48Å; I73-W76 WeakPolarHBondContact O-CB 3.33Å; I73-W76 PolarHBondContact O-N 3.5Å; I73-W76 VanDerWaalsContact O-N 3.08Å; L74-W76 VanDerWaalsContact C-N 3.3Å; L74-W76 PolarHBondContact O-N 2.9Å; W76-G78 VanDerWaalsContact C-N 3.35Å; W76-C79 PolarHBondContact O-N 2.82Å; W76-F80 WeakPolarHBondContact O-CB 3.31Å; W76-F80 PolarHBondContact O-N 2.68Å
77	V	75.7	Confident	71.4	Confident	85 Å²	85	85.3 Å²	85.3	52%	0.515	47%	0.472	S	S	.	.	H	α-helix	trans	-63.8	-40.7	177.6	172.9	0	0	0	0	111	I73 L74 F80 G81	I73-V77 HydrophobicContact CG2-CG2 3.88Å; I73-V77 WeakPolarHBondContact O-CG2 3.36Å; I73-V77 PolarHBondContact O-N 3.37Å; L74-V77 PolarHBondContact O-N 2.93Å; V77-F80 PolarHBondContact O-N 2.97Å; V77-G81 PolarHBondContact O-N 3.04Å
78	G	75.9	Confident	70.4	Confident	24 Å²	24	91.9 Å²	91.9	25%	0.247	50%	0.504	C	S	.	.	H	α-helix	trans	-62	-47.6	174.9	0	0	0	0	0	111.6	L74 W76 F80 G81 I82	L74-G78 PolarHBondContact O-N 2.83Å; W76-G78 VanDerWaalsContact C-N 3.35Å; G78-F80 PolarHBondContact O-N 2.67Å; G78-G81 PolarHBondContact O-N 3.37Å; G78-I82 VanDerWaalsContact O-CB 3.27Å; G78-I82 WeakPolarHBondContact O-CB 3.16Å; G78-I82 WeakPolarHBondContact O-CD1 3.4Å; G78-I82 WeakPolarHBondContact O-CG1 3.49Å; G78-I82 PolarHBondContact O-N 3.42Å
79	C	70.8	Confident	69.5	Low	88 Å²	88	98.8 Å²	98.8	60%	0.595	53%	0.53	S	S	*	.	H	α-helix	trans	-59.8	-45.7	175.4	-176.1	0	0	0	0	111.9	T75 W76 I82 F83	T75-C79 WeakPolarHBondContact O-CB 3.35Å; T75-C79 PolarHBondContact O-N 3.48Å; W76-C79 PolarHBondContact O-N 2.82Å; C79-I82 PolarHBondContact O-N 2.88Å; C79-F83 WeakPolarHBondContact O-CB 3.33Å; C79-F83 PolarHBondContact O-N 2.89Å
80	F	79.4	Confident	68.8	Low	128 Å²	128	96.8 Å²	96.8	56%	0.561	54%	0.541	S	S	*	.	H	α-helix	trans	-68.6	-40.6	179	-170.7	-106.6	0	0	0	112.6	W76 V77 G78 F83 L84	W76-F80 WeakPolarHBondContact O-CB 3.31Å; W76-F80 PolarHBondContact O-N 2.68Å; V77-F80 PolarHBondContact O-N 2.97Å; G78-F80 PolarHBondContact O-N 2.67Å; F80-F83 WeakPolarHBondContact O-CB 3.35Å; F80-F83 PolarHBondContact O-N 2.71Å; F80-L84 HydrophobicContact CD1-CD1 3.75Å; F80-L84 HydrophobicContact CD1-CG 4.28Å; F80-L84 HydrophobicContact CE1-CD1 3.26Å; F80-L84 HydrophobicContact CE1-CG 4.01Å; F80-L84 HydrophobicContact CZ-CD1 3.73Å; F80-L84 HydrophobicContact CZ-CD2 4.34Å; F80-L84 HydrophobicContact CZ-CG 4.15Å; F80-L84 WeakPolarHBondContact O-CG 3.48Å; F80-L84 PolarHBondContact O-N 3.03Å
81	G	76.6	Confident	68.1	Low	29 Å²	29	93.2 Å²	93.2	30%	0.299	53%	0.53	S	S	.	.	H	α-helix	trans	-64.5	-42.4	175.6	0	0	0	0	0	112	V77 G78 F83 L84 V85	V77-G81 PolarHBondContact O-N 3.04Å; G78-G81 PolarHBondContact O-N 3.37Å; G81-F83 VanDerWaalsContact C-N 3.33Å; G81-F83 PolarHBondContact O-N 3.04Å; G81-L84 PolarHBondContact O-N 3.09Å; G81-V85 WeakPolarHBondContact O-CB 3.13Å; G81-V85 VanDerWaalsContact O-CG2 3.26Å; G81-V85 WeakPolarHBondContact O-CG2 3.43Å; G81-V85 PolarHBondContact O-N 2.84Å
82	I	71	Confident	67.4	Low	35 Å²	35	93 Å²	93	18%	0.179	54%	0.537	C	S	.	.	H	α-helix	trans	-59.9	-44.7	171.9	-75	165.2	0	0	0	110.8	G78 C79 L84 C91 P95	G78-I82 VanDerWaalsContact O-CB 3.27Å; G78-I82 WeakPolarHBondContact O-CB 3.16Å; G78-I82 WeakPolarHBondContact O-CD1 3.4Å; G78-I82 WeakPolarHBondContact O-CG1 3.49Å; G78-I82 PolarHBondContact O-N 3.42Å; C79-I82 PolarHBondContact O-N 2.88Å; I82-L84 VanDerWaalsContact C-N 3.31Å; I82-L84 PolarHBondContact O-N 2.56Å; I82-C91 HydrophobicContact CG2-CB 3.51Å; I82-C91 WeakPolarHBondContact CG2-SG 3.25Å; I82-P95 HydrophobicContact CD1-CB 4.05Å; I82-P95 HydrophobicContact CD1-CG 4Å
83	F	72.1	Confident	66.7	Low	163 Å²	163	98.8 Å²	98.8	72%	0.715	56%	0.559	S	S	*	*	H	α-helix	trans	-61.4	-37.8	177.7	179.9	-100.3	0	0	0	112.5	C79 F80 G81	C79-F83 WeakPolarHBondContact O-CB 3.33Å; C79-F83 PolarHBondContact O-N 2.89Å; F80-F83 WeakPolarHBondContact O-CB 3.35Å; F80-F83 PolarHBondContact O-N 2.71Å; G81-F83 VanDerWaalsContact C-N 3.33Å; G81-F83 PolarHBondContact O-N 3.04Å
84	L	72.8	Confident	66.1	Low	111 Å²	111	97.8 Å²	97.8	58%	0.581	55%	0.554	S	S	*	*	H	α-helix	trans	-82.6	-35.7	-178.2	-71.6	-175.8	0	0	0	114.8	F80 G81 I82	F80-L84 HydrophobicContact CD1-CD1 3.75Å; F80-L84 HydrophobicContact CD1-CG 4.28Å; F80-L84 HydrophobicContact CE1-CD1 3.26Å; F80-L84 HydrophobicContact CE1-CG 4.01Å; F80-L84 HydrophobicContact CZ-CD1 3.73Å; F80-L84 HydrophobicContact CZ-CD2 4.34Å; F80-L84 HydrophobicContact CZ-CG 4.15Å; F80-L84 WeakPolarHBondContact O-CG 3.48Å; F80-L84 PolarHBondContact O-N 3.03Å; G81-L84 PolarHBondContact O-N 3.09Å; I82-L84 VanDerWaalsContact C-N 3.31Å; I82-L84 PolarHBondContact O-N 2.56Å
85	V	67.2	Low	65.6	Low	132 Å²	132	96.3 Å²	96.3	80%	0.8	55%	0.55	S	S	*	.	H	α-helix	trans	-87.4	-20.6	-166.5	175.7	0	0	0	0	113.6	G81	G81-V85 WeakPolarHBondContact O-CB 3.13Å; G81-V85 VanDerWaalsContact O-CG2 3.26Å; G81-V85 WeakPolarHBondContact O-CG2 3.43Å; G81-V85 PolarHBondContact O-N 2.84Å
86	G	59.4	Low	64.7	Low	53 Å²	53	102.7 Å²	102.7	55%	0.546	58%	0.575	S	S	.	*			trans	140.8	96.5	164	0	0	0	0	0	117.2
87	G	58	Low	63.7	Low	38 Å²	38	98.5 Å²	98.5	39%	0.392	57%	0.573	S	S	.	*				124.1	131.2	129.4	0	0	0	0	0	116.5	F89 C91	G87-F89 PolarHBondContact O-N 3.14Å; G87-C91 PolarHBondContact O-SG 2.87Å
88	I	60.1	Low	62.6	Low	166 Å²	166	95.9 Å²	95.9	85%	0.851	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.3	-5.4	158.3	-70.7	163	0	0	0	112.9
89	F	56.1	Low	61.6	Low	199 Å²	199	98.5 Å²	98.5	87%	0.873	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.1	6.1	-168.9	-81	-83.4	0	0	0	116.8	G87	G87-F89 PolarHBondContact O-N 3.14Å
90	G	56.2	Low	60.8	Low	62 Å²	62	97.7 Å²	97.7	64%	0.639	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-162.1	6.4	-174.2	0	0	0	0	0	120.2
91	C	54.1	Low	59.6	Low	40 Å²	40	94.4 Å²	94.4	27%	0.27	55%	0.554	S	S	.	*			trans	-105	14.1	-163.2	60.6	0	0	0	0	116.6	I82 G87 L93	I82-C91 HydrophobicContact CG2-CB 3.51Å; I82-C91 WeakPolarHBondContact CG2-SG 3.25Å; G87-C91 PolarHBondContact O-SG 2.87Å; C91-L93 PolarHBondContact O-N 3.48Å
92	C	52.6	Low	58.7	Low	103 Å²	103	95 Å²	95	70%	0.696	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-0.1	-167.1	-47.2	0	0	0	0	115.8
93	L	55.3	Low	58.3	Low	157 Å²	157	96 Å²	96	82%	0.822	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.1	-16	-172	-77.8	160.5	0	0	0	115.1	C91	C91-L93 PolarHBondContact O-N 3.48Å
94	I	58.6	Low	58.1	Low	117 Å²	117	88.2 Å²	88.2	60%	0.6	52%	0.52	S	S	*	.	S	Bend	trans	-87.4	-32.4	179.9	-54.7	179.4	0	0	0	114.7	F96 C97	I94-F96 PolarHBondContact O-N 3.41Å; I94-C97 PolarHBondContact O-N 3.34Å
95	P	56.3	Low	58.1	Low	60 Å²	60	83.7 Å²	83.7	39%	0.39	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-8.1	-175.9	26.3	-28.9	0	0	0	113.5	I82	I82-P95 HydrophobicContact CD1-CB 4.05Å; I82-P95 HydrophobicContact CD1-CG 4Å
96	F	54.4	Low	58.7	Low	175 Å²	175	77.4 Å²	77.4	77%	0.768	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-21	177.1	-118.5	-95.3	0	0	0	114.5	I94	I94-F96 PolarHBondContact O-N 3.41Å
97	C	54.5	Low	59.8	Low	104 Å²	104	79.4 Å²	79.4	70%	0.703	45%	0.449	S	S	*	.	S	Bend	trans	-81.6	-13.7	177.2	-79.6	0	0	0	0	113.6	I94	I94-C97 PolarHBondContact O-N 3.34Å
98	C	54.2	Low	61.1	Low	30 Å²	30	77.6 Å²	77.6	20%	0.203	43%	0.431	C	S	.	.	S	Bend	trans	-99.5	-11.6	-174.3	-70.5	0	0	0	0	114.2	L74 S100	L74-C98 HydrophobicContact CD2-CB 4.34Å; L74-C98 HydrophobicContact CG-CB 4.44Å; C98-S100 PolarHBondContact O-N 2.96Å
99	D	54.1	Low	62.2	Low	79 Å²	79	72.7 Å²	72.7	42%	0.422	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-72.3	-18	174.9	-79.6	-39	0	0	0	112.8	C101 K102	D99-C101 PolarHBondContact O-N 3.46Å; D99-K102 WeakPolarHBondContact OD1-CE 3.36Å; D99-K102 IonicContact OD1-NZ 3.75Å; D99-K102 PolarHBondContact OD1-NZ 3.08Å
100	S	53.5	Low	63.5	Low	71 Å²	71	66.7 Å²	66.7	50%	0.497	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-73.3	-4.2	175.5	-76.1	0	0	0	0	115.1	C98 R120	C98-S100 PolarHBondContact O-N 2.96Å; S100-R120 CarbonylContact O-C 3.31Å; S100-R120 VanDerWaalsContact O-C 3.31Å; S100-R120 WeakPolarHBondContact O-CB 3.35Å; S100-R120 VanDerWaalsContact O-O 3.11Å
101	C	53.9	Low	64.8	Low	59 Å²	59	66 Å²	66	40%	0.399	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-112.3	15.5	-179.9	-53.9	0	0	0	0	113.9	D99 D103 R120	D99-C101 PolarHBondContact O-N 3.46Å; C101-D103 PolarHBondContact O-N 2.67Å; C101-R120 WeakPolarHBondContact CA-O 3.46Å
102	K	58.5	Low	66.1	Low	42 Å²	42	70.1 Å²	70.1	18%	0.183	39%	0.394	C	S	.	.			trans	-80.7	116.3	176.2	-74.5	173.2	179.4	160.6	0	109.7	D99 A104	D99-K102 WeakPolarHBondContact OD1-CE 3.36Å; D99-K102 IonicContact OD1-NZ 3.75Å; D99-K102 PolarHBondContact OD1-NZ 3.08Å; K102-A104 PolarHBondContact O-N 3.3Å
103	D	62.7	Low	67.5	Low	55 Å²	55	71.7 Å²	71.7	29%	0.294	39%	0.385	S	S	.	.			trans	-66.6	128.5	172	-67.9	-21	0	0	0	109.5	C101 Y118 R119	C101-D103 PolarHBondContact O-N 2.67Å; D103-Y118 WeakPolarHBondContact CA-O 3.17Å; D103-R119 WeakPolarHBondContact OD1-CA 3.26Å; D103-R119 VanDerWaalsContact OD1-CG 3.31Å; D103-R119 WeakPolarHBondContact OD1-CG 3.48Å; D103-R119 IonicContact OD2-NE 2.67Å
104	A	67	Low	68.7	Low	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	108.6	170.2	0	0	0	0	0	108.3	V67 Y69 K102 H106 Y118	V67-A104 HydrophobicContact CG1-CB 3.49Å; V67-A104 VanDerWaalsContact CG1-CB 3.49Å; Y69-A104 HydrophobicContact CD1-CB 4.47Å; Y69-A104 HydrophobicContact CE1-CB 4.02Å; K102-A104 PolarHBondContact O-N 3.3Å; A104-H106 PolarHBondContact O-N 3.35Å; A104-Y118 HydrophobicContact CB-CD1 4.39Å; A104-Y118 PolarHBondContact N-O 3.29Å; A104-Y118 PolarHBondContact O-N 2.75Å
105	D	74.5	Confident	69.4	Low	15 Å²	15	63.8 Å²	63.8	8%	0.08	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	109.9	174.2	-80.1	-40.2	0	0	0	109	V66 V67 T68 K70 L117	V66-D105 VanDerWaalsContact O-O 3.13Å; V67-D105 CarbonylContact C-O 3.57Å; V67-D105 WeakPolarHBondContact CA-O 3.48Å; T68-D105 PolarHBondContact N-O 3.14Å; T68-D105 PolarHBondContact O-N 2.8Å; K70-D105 WeakPolarHBondContact CE-OD2 3.38Å; K70-D105 IonicContact NZ-OD2 2.74Å; K70-D105 PolarHBondContact NZ-OD2 3.11Å; D105-L117 WeakPolarHBondContact OD1-CD2 3.45Å
106	H	78.7	Confident	69.8	Low	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	123.8	173.9	-68.6	-106	0	0	0	111.1	F45 G48 D50 T65 V67 A104 L115 G116	F45-H106 HydrophobicContact CZ-CB 3.79Å; F45-H106 AromaticContact CZ-CG 3.76Å; F45-H106 AromaticContact CZ-ND1 3.99Å; G48-H106 PolarHBondContact N-NE2 2.93Å; G48-H106 PolarHBondContact O-CE1 3.42Å; G48-H106 PolarHBondContact O-NE2 3.28Å; D50-H106 PolarHBondContact O-CE1 3.38Å; T65-H106 HydrophobicContact CG2-CB 4.37Å; T65-H106 PolarHBondContact OG1-ND1 2.96Å; V67-H106 VanDerWaalsContact CG2-CE1 3.49Å; V67-H106 WeakPolarHBondContact CG2-CE1 2.86Å; A104-H106 PolarHBondContact O-N 3.35Å; H106-L115 HydrophobicContact CB-CB 4.5Å; H106-L115 PolarHBondContact O-N 3.4Å; H106-G116 WeakPolarHBondContact CB-O 2.93Å; H106-G116 PolarHBondContact N-O 3.43Å; H106-G116 VanDerWaalsContact N-O 3.1Å
107	R	83	Confident	70.2	Confident	95 Å²	95	58.1 Å²	58.1	36%	0.358	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	147	-179.8	-71	176.1	173.7	-150.4	-9.3	112	T65 V66 D114	T65-R107 CarbonylContact C-O 3.59Å; T65-R107 WeakPolarHBondContact CA-O 3.19Å; V66-R107 HydrophobicContact CB-CB 4.46Å; V66-R107 PolarHBondContact N-O 2.92Å; V66-R107 PolarHBondContact O-N 2.97Å; R107-D114 WeakPolarHBondContact CG-OD1 3.33Å; R107-D114 IonicContact CZ-OD1 3.39Å; R107-D114 IonicContact NE-OD1 2.78Å; R107-D114 PolarHBondContact NE-OD1 3.5Å; R107-D114 IonicContact NH2-OD1 3.26Å; R107-D114 PolarHBondContact NH2-OD1 3.25Å; R107-D114 IonicContact NH2-OD2 3.92Å
108	C	84.1	Confident	70.7	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.306	C	S	.	.			trans	-80.4	125.1	171.9	179.4	0	0	0	0	111	I63 V110 C111 N112 R113 L115	I63-C108 HydrophobicContact CD1-CB 4.3Å; C108-V110 PolarHBondContact O-N 2.88Å; C108-V110 PolarHBondContact SG-N 3.42Å; C108-C111 WeakPolarHBondContact CB-SG 3.29Å; C108-C111 PolarHBondContact SG-SG 2.85Å; C108-N112 WeakPolarHBondContact O-CA 3.42Å; C108-N112 PolarHBondContact O-N 3.16Å; C108-R113 PolarHBondContact N-O 3.49Å; C108-L115 HydrophobicContact CB-CD1 4.01Å; C108-L115 HydrophobicContact CB-CD2 4.44Å; C108-L115 HydrophobicContact CB-CG 4.22Å
109	P	83.5	Confident	70.8	Confident	63 Å²	63	64 Å²	64	41%	0.409	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.2	179.3	28.4	-35	0	0	0	113.4	I63 T64 V66	I63-P109 HydrophobicContact CB-CG 4.22Å; T64-P109 VanDerWaalsContact O-CD 3.22Å; T64-P109 WeakPolarHBondContact O-CD 3.42Å; T64-P109 WeakPolarHBondContact O-CG 2.84Å; V66-P109 HydrophobicContact CG2-CB 3.98Å; V66-P109 HydrophobicContact CG2-CG 4.47Å
110	V	83.4	Confident	71	Confident	73 Å²	73	63.6 Å²	63.6	44%	0.442	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-43.6	-175.8	-178.1	0	0	0	0	111.9	K61 I63 C108	K61-V110 HydrophobicContact CD-CG1 4.09Å; K61-V110 VanDerWaalsContact CE-CG1 3.45Å; I63-V110 HydrophobicContact CG2-CB 4.25Å; I63-V110 HydrophobicContact CG2-CG2 3.57Å; C108-V110 PolarHBondContact O-N 2.88Å; C108-V110 PolarHBondContact SG-N 3.42Å
111	C	84.5	Confident	70.9	Confident	48 Å²	48	68 Å²	68	32%	0.324	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-3.3	-179.3	68.5	0	0	0	0	114	C59 C108 R113	C59-C111 HydrophobicContact CB-CB 4.16Å; C108-C111 WeakPolarHBondContact CB-SG 3.29Å; C108-C111 PolarHBondContact SG-SG 2.85Å; C111-R113 PolarHBondContact O-N 2.93Å; C111-R113 VanDerWaalsContact O-N 3.1Å
112	N	81.8	Confident	71.8	Confident	127 Å²	127	68.5 Å²	68.5	68%	0.679	35%	0.348	S	S	*	.			trans	55.2	22.1	-177	-67.6	-61.6	0	0	0	114.7	C108	C108-N112 WeakPolarHBondContact O-CA 3.42Å; C108-N112 PolarHBondContact O-N 3.16Å
113	R	81	Confident	72.5	Confident	136 Å²	136	69.9 Å²	69.9	51%	0.513	36%	0.356	S	S	.	.			trans	-92.9	138	178.6	-166.2	166.2	-79.9	-97.2	4.3	110.7	Y58 C108 C111 L115	Y58-R113 HydrophobicContact CD2-CB 4.08Å; Y58-R113 HydrophobicContact CD2-CG 3.76Å; Y58-R113 VanDerWaalsContact CE1-CD 3.45Å; Y58-R113 HydrophobicContact CE1-CG 4.49Å; Y58-R113 HydrophobicContact CE2-CB 4.39Å; Y58-R113 HydrophobicContact CE2-CG 3.65Å; Y58-R113 HydrophobicContact CG-CG 4.21Å; Y58-R113 VanDerWaalsContact CZ-CD 3.48Å; C108-R113 PolarHBondContact N-O 3.49Å; C111-R113 PolarHBondContact O-N 2.93Å; C111-R113 VanDerWaalsContact O-N 3.1Å; R113-L115 PolarHBondContact O-N 3.02Å
114	D	79.7	Confident	73	Confident	77 Å²	77	70.7 Å²	70.7	41%	0.412	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	128.8	173.9	-58.4	-75.9	0	0	0	109.7	R107	R107-D114 WeakPolarHBondContact CG-OD1 3.33Å; R107-D114 IonicContact CZ-OD1 3.39Å; R107-D114 IonicContact NE-OD1 2.78Å; R107-D114 PolarHBondContact NE-OD1 3.5Å; R107-D114 IonicContact NH2-OD1 3.26Å; R107-D114 PolarHBondContact NH2-OD1 3.25Å; R107-D114 IonicContact NH2-OD2 3.92Å
115	L	73.2	Confident	73.3	Confident	30 Å²	30	74.9 Å²	74.9	16%	0.157	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-27.5	-176.7	-67.9	171.2	0	0	0	112.3	F45 T54 C56 P57 Y58 I63 T65 H106 C108 R113	F45-L115 HydrophobicContact CZ-CB 4.32Å; T54-L115 HydrophobicContact CG2-CD1 4.5Å; C56-L115 HydrophobicContact CB-CD2 4.42Å; P57-L115 HydrophobicContact CG-CD2 4.21Å; Y58-L115 HydrophobicContact CD2-CD2 4.05Å; Y58-L115 HydrophobicContact CE2-CD2 4.21Å; I63-L115 HydrophobicContact CD1-CD1 3.5Å; T65-L115 HydrophobicContact CG2-CD1 3.34Å; H106-L115 HydrophobicContact CB-CB 4.5Å; H106-L115 PolarHBondContact O-N 3.4Å; C108-L115 HydrophobicContact CB-CD1 4.01Å; C108-L115 HydrophobicContact CB-CD2 4.44Å; C108-L115 HydrophobicContact CB-CG 4.22Å; R113-L115 PolarHBondContact O-N 3.02Å
116	G	65.6	Low	73.3	Confident	25 Å²	25	78.6 Å²	78.6	26%	0.258	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	167.6	153.1	177.3	0	0	0	0	0	111.5	H106	H106-G116 WeakPolarHBondContact CB-O 2.93Å; H106-G116 PolarHBondContact N-O 3.43Å; H106-G116 VanDerWaalsContact N-O 3.1Å
117	L	62.1	Low	72.9	Confident	92 Å²	92	83.9 Å²	83.9	48%	0.482	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120	175.2	-75.5	145.1	0	0	0	108.1	D105 R119	D105-L117 WeakPolarHBondContact OD1-CD2 3.45Å; L117-R119 PolarHBondContact O-N 3.24Å
118	Y	66.2	Low	72.2	Confident	79 Å²	79	83.1 Å²	83.1	31%	0.31	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	107	161.4	-172.5	-137.9	0	0	0	108.4	P47 G48 D103 A104 R120	P47-Y118 HydrophobicContact CB-CD2 4.38Å; P47-Y118 HydrophobicContact CB-CG 4.38Å; P47-Y118 HydrophobicContact CG-CD2 4.19Å; P47-Y118 WeakPolarHBondContact O-CD2 3.27Å; P47-Y118 WeakPolarHBondContact O-CE2 3.38Å; P47-Y118 VanDerWaalsContact O-CG 3.27Å; G48-Y118 VanDerWaalsContact C-CD1 3.42Å; G48-Y118 WeakPolarHBondContact O-CD1 3.35Å; D103-Y118 WeakPolarHBondContact CA-O 3.17Å; A104-Y118 HydrophobicContact CB-CD1 4.39Å; A104-Y118 PolarHBondContact N-O 3.29Å; A104-Y118 PolarHBondContact O-N 2.75Å; Y118-R120 HydrophobicContact CD1-CG 3.64Å; Y118-R120 HydrophobicContact CE1-CG 3.26Å; Y118-R120 VanDerWaalsContact CE1-NE 3.3Å; Y118-R120 HydrophobicContact CG-CG 4.46Å
119	R	56.4	Low	71.3	Confident	177 Å²	177	89.5 Å²	89.5	67%	0.668	46%	0.464	S	S	*	.			trans	-92.4	122.1	169	-60.3	-160.9	172.5	174.9	-0.1	109.2	D103 L117	D103-R119 WeakPolarHBondContact OD1-CA 3.26Å; D103-R119 VanDerWaalsContact OD1-CG 3.31Å; D103-R119 WeakPolarHBondContact OD1-CG 3.48Å; D103-R119 IonicContact OD2-NE 2.67Å; L117-R119 PolarHBondContact O-N 3.24Å
120	R	58.7	Low	70.3	Confident	71 Å²	71	91.7 Å²	91.7	27%	0.268	47%	0.469	S	S	.	.			trans	-94.5	120.4	168.4	-56.5	-172.8	-150.8	-169.3	10.4	106.4	Y69 S100 C101 Y118	Y69-R120 PolarHBondContact OH-NH2 3.05Å; Y69-R120 VanDerWaalsContact OH-NH2 3.09Å; S100-R120 CarbonylContact O-C 3.31Å; S100-R120 VanDerWaalsContact O-C 3.31Å; S100-R120 WeakPolarHBondContact O-CB 3.35Å; S100-R120 VanDerWaalsContact O-O 3.11Å; C101-R120 WeakPolarHBondContact CA-O 3.46Å; Y118-R120 HydrophobicContact CD1-CG 3.64Å; Y118-R120 HydrophobicContact CE1-CG 3.26Å; Y118-R120 VanDerWaalsContact CE1-NE 3.3Å; Y118-R120 HydrophobicContact CG-CG 4.46Å
121	C	50.6	Low	69.1	Low	165 Å²	165	93.4 Å²	93.4	100%	1.115	47%	0.471	S	S	*	.			trans	-78.6	0	-179.9	57.7	0	0	0	0	111.4

Retrieved 121 of 121 residues in 128.6 ms (Link to these results)

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