A0A077ZG28_TRITR Loading...

Rad60-SLD 2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZG28, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 133 aa.

						>A0A077ZG28_TRITR|A0A077ZG28
MIRSTCHQLKLPFVHWRSSNDSLFQINLRLILVCGKTSDFLFPSTYSAADVAQYVFDHWPSEWEDERVQSASLLKLIYHGRFLHGNVTLGVVLLSALTLPLGKTTVMHLVARKSLPEPSSQGKRDRCRKNSFI
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.1	Very low	44.6	Very low	242 Å²	242	160.1 Å²	160.1	100%	1.192	81%	0.808	S	S	*	*				0	99.3	0	-71.5	159.8	178.4	0	0	108.1
2	I	40.8	Very low	44.1	Very low	160 Å²	160	157.4 Å²	157.4	82%	0.821	81%	0.81	S	S	*	*			trans	-132.6	110.5	167.5	52.8	163.3	0	0	0	108.3	S4	I2-S4 PolarHBondContact O-N 3.31Å
3	R	45.1	Very low	43.5	Very low	246 Å²	246	156.5 Å²	156.5	93%	0.928	80%	0.797	S	S	*	*			trans	-77.8	99	172.1	-76.8	173.2	140.1	-166.8	-5.2	106.8	T5	R3-T5 PolarHBondContact O-N 3.1Å; R3-T5 VanDerWaalsContact O-N 3.16Å
4	S	44.1	Very low	43.7	Very low	107 Å²	107	155.8 Å²	155.8	75%	0.748	80%	0.803	S	S	*	*			trans	-79.8	94.7	167.2	-76.8	0	0	0	0	108.6	I2 C6	I2-S4 PolarHBondContact O-N 3.31Å; S4-C6 PolarHBondContact O-N 3.16Å; S4-C6 VanDerWaalsContact O-N 3.1Å
5	T	52.8	Low	43	Very low	111 Å²	111	153.6 Å²	153.6	68%	0.681	79%	0.788	S	S	*	*			trans	-59.7	105	164	32.5	0	0	0	0	108.5	R3 H7	R3-T5 PolarHBondContact O-N 3.1Å; R3-T5 VanDerWaalsContact O-N 3.16Å; T5-H7 VanDerWaalsContact C-N 3.33Å; T5-H7 PolarHBondContact O-N 2.89Å
6	C	47.6	Very low	43.2	Very low	120 Å²	120	157.7 Å²	157.7	81%	0.811	79%	0.79	S	S	*	*			trans	-63.5	94.2	171.2	-170.4	0	0	0	0	108.1	S4 Q8	S4-C6 PolarHBondContact O-N 3.16Å; S4-C6 VanDerWaalsContact O-N 3.1Å; C6-Q8 PolarHBondContact O-N 2.87Å
7	H	46.3	Very low	42.9	Very low	156 Å²	156	160 Å²	160	72%	0.722	79%	0.787	S	S	*	*			trans	-68	99.8	170.3	-93	-112.4	0	0	0	108	T5 L9	T5-H7 VanDerWaalsContact C-N 3.33Å; T5-H7 PolarHBondContact O-N 2.89Å; H7-L9 VanDerWaalsContact C-N 3.25Å; H7-L9 PolarHBondContact O-N 3.01Å
8	Q	46.2	Very low	43	Very low	160 Å²	160	155.3 Å²	155.3	75%	0.748	77%	0.773	S	S	*	*			trans	-60.7	89.6	164.3	-173.9	76.3	29.5	0	0	108.1	C6 K10	C6-Q8 PolarHBondContact O-N 2.87Å; Q8-K10 VanDerWaalsContact C-N 3.28Å; Q8-K10 PolarHBondContact O-N 3.17Å
9	L	41.8	Very low	43.3	Very low	141 Å²	141	152 Å²	152	74%	0.738	77%	0.766	S	S	*	*			trans	-67.7	92.8	166.7	-71.7	171.2	0	0	0	107.9	H7 L11	H7-L9 VanDerWaalsContact C-N 3.25Å; H7-L9 PolarHBondContact O-N 3.01Å; L9-L11 PolarHBondContact O-N 3.03Å
10	K	43	Very low	43.5	Very low	188 Å²	188	152.1 Å²	152.1	82%	0.817	77%	0.769	S	S	*	*			trans	-65.4	85	157.6	-88.3	170.2	175.3	163	0	107.9	Q8	Q8-K10 VanDerWaalsContact C-N 3.28Å; Q8-K10 PolarHBondContact O-N 3.17Å
11	L	35.4	Very low	43.9	Very low	130 Å²	130	147.8 Å²	147.8	68%	0.681	75%	0.748	S	S	*	*			trans	-92.6	122.9	152.1	-65.6	174	0	0	0	106	L9 F13	L9-L11 PolarHBondContact O-N 3.03Å; L11-F13 HydrophobicContact CB-CB 4.4Å; L11-F13 PolarHBondContact O-N 2.91Å
12	P	39.3	Very low	44.2	Very low	128 Å²	128	140.9 Å²	140.9	83%	0.831	72%	0.724	S	S	*	*			trans	-73	60.5	165.6	33.2	-32.5	0	0	0	107.7	V14	P12-V14 PolarHBondContact O-N 3.48Å
13	F	36.1	Very low	45.2	Very low	146 Å²	146	139.8 Å²	139.8	64%	0.64	72%	0.719	S	S	*	*			trans	-86.5	103.3	168.6	-149.8	-74.6	0	0	0	104.3	L11 H15	L11-F13 HydrophobicContact CB-CB 4.4Å; L11-F13 PolarHBondContact O-N 2.91Å; F13-H15 HydrophobicContact CD1-CB 3.43Å; F13-H15 VanDerWaalsContact CD1-CB 3.43Å; F13-H15 AromaticContact CD1-CG 3.89Å; F13-H15 AromaticContact CD1-ND1 3.57Å; F13-H15 HydrophobicContact CE1-CB 4Å; F13-H15 AromaticContact CE1-CG 3.95Å; F13-H15 AromaticContact CE1-ND1 3.22Å; F13-H15 WeakPolarHBondContact CE1-ND1 3.37Å; F13-H15 HydrophobicContact CG-CB 4.38Å; F13-H15 PolarHBondContact O-N 3Å
14	V	46.2	Very low	46.4	Very low	146 Å²	146	133 Å²	133	89%	0.885	70%	0.696	S	S	*	*			trans	-55.9	73.8	155.2	-76.7	0	0	0	0	108.1	P12	P12-V14 PolarHBondContact O-N 3.48Å
15	H	34	Very low	48.1	Very low	123 Å²	123	132.1 Å²	132.1	57%	0.569	68%	0.68	S	S	*	*			trans	-104.1	100.7	171.7	-151	107	0	0	0	107.4	F13	F13-H15 HydrophobicContact CD1-CB 3.43Å; F13-H15 VanDerWaalsContact CD1-CB 3.43Å; F13-H15 AromaticContact CD1-CG 3.89Å; F13-H15 AromaticContact CD1-ND1 3.57Å; F13-H15 HydrophobicContact CE1-CB 4Å; F13-H15 AromaticContact CE1-CG 3.95Å; F13-H15 AromaticContact CE1-ND1 3.22Å; F13-H15 WeakPolarHBondContact CE1-ND1 3.37Å; F13-H15 HydrophobicContact CG-CB 4.38Å; F13-H15 PolarHBondContact O-N 3Å
16	W	45	Very low	49.4	Very low	219 Å²	219	127.2 Å²	127.2	83%	0.83	65%	0.65	S	S	*	*				-141.8	112.6	127.8	-170	-106.5	0	0	0	109.3	S18	W16-S18 PolarHBondContact O-N 2.95Å
17	R	38.5	Very low	51.3	Low	197 Å²	197	124.6 Å²	124.6	74%	0.743	63%	0.628	S	S	*	*			trans	-66.1	100.1	160.1	-177	154.9	80.8	173.2	7.7	107.6
18	S	44.4	Very low	53.2	Low	75 Å²	75	117.1 Å²	117.1	52%	0.524	59%	0.593	S	S	.	*			trans	-100	76.3	158.1	-155.3	0	0	0	0	109	W16 N20	W16-S18 PolarHBondContact O-N 2.95Å; S18-N20 VanDerWaalsContact C-N 3.28Å; S18-N20 PolarHBondContact O-N 2.99Å
19	S	48.8	Very low	55.3	Low	93 Å²	93	115 Å²	115	65%	0.65	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	96.3	155.6	-75.7	0	0	0	0	106.6
20	N	48.6	Very low	57.6	Low	153 Å²	153	108.2 Å²	108.2	82%	0.818	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	166.4	1.1	151.7	-93.8	-67.6	0	0	0	113	S18	S18-N20 VanDerWaalsContact C-N 3.28Å; S18-N20 PolarHBondContact O-N 2.99Å
21	D	50.7	Low	59.9	Low	62 Å²	62	101.1 Å²	101.1	33%	0.332	51%	0.514	S	S	.	.			trans	-99.5	22.7	-171.7	-138.8	-119.3	0	0	0	115	L23 F24	D21-L23 PolarHBondContact O-N 3.38Å; D21-F24 HydrophobicContact CB-CD2 4.35Å; D21-F24 PolarHBondContact O-N 2.68Å; D21-F24 WeakPolarHBondContact OD1-CB 3.22Å; D21-F24 WeakPolarHBondContact OD1-CD2 3.09Å; D21-F24 WeakPolarHBondContact OD1-CG 3.15Å; D21-F24 WeakPolarHBondContact OD2-CD2 3.43Å; D21-F24 WeakPolarHBondContact OD2-CE2 3.2Å
22	S	54.1	Low	62.4	Low	98 Å²	98	95 Å²	95	69%	0.685	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-58.9	-17.1	179.9	-53	0	0	0	0	113.9	F24	S22-F24 VanDerWaalsContact C-N 3.27Å; S22-F24 PolarHBondContact O-N 2.79Å
23	L	60.5	Low	64.5	Low	137 Å²	137	93 Å²	93	72%	0.717	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-73.8	-16.4	175	-64.2	175.7	0	0	0	113.5	D21	D21-L23 PolarHBondContact O-N 3.38Å
24	F	71.1	Confident	66.5	Low	102 Å²	102	89.5 Å²	89.5	45%	0.447	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-112.7	5.8	-175.1	-60.3	-84.3	0	0	0	113.2	D21 S22 P43 S44	D21-F24 HydrophobicContact CB-CD2 4.35Å; D21-F24 PolarHBondContact O-N 2.68Å; D21-F24 WeakPolarHBondContact OD1-CB 3.22Å; D21-F24 WeakPolarHBondContact OD1-CD2 3.09Å; D21-F24 WeakPolarHBondContact OD1-CG 3.15Å; D21-F24 WeakPolarHBondContact OD2-CD2 3.43Å; D21-F24 WeakPolarHBondContact OD2-CE2 3.2Å; S22-F24 VanDerWaalsContact C-N 3.27Å; S22-F24 PolarHBondContact O-N 2.79Å; F24-P43 CarbonylContact O-C 3.25Å; F24-P43 WeakPolarHBondContact O-CA 3.5Å; F24-S44 PolarHBondContact O-N 3.02Å
25	Q	79.3	Confident	68.2	Low	89 Å²	89	85.2 Å²	85.2	42%	0.416	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	132.8	173	-100.6	167.6	0.4	0	0	111.6	L41	Q25-L41 HydrophobicContact CB-CD1 4.1Å; Q25-L41 HydrophobicContact CB-CD2 4.22Å; Q25-L41 HydrophobicContact CB-CG 4.06Å; Q25-L41 HydrophobicContact CG-CD2 3.99Å; Q25-L41 HydrophobicContact CG-CG 3.91Å; Q25-L41 VanDerWaalsContact OE1-CD2 3.32Å
26	I	80.6	Confident	70.7	Confident	9 Å²	9	82.5 Å²	82.5	5%	0.046	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	122.1	-174.3	-50.4	166.7	0	0	0	107.2	L28 F42 S44 L89 L93 T105	I26-L28 PolarHBondContact O-N 3.48Å; I26-F42 WeakPolarHBondContact CA-O 3.24Å; I26-F42 WeakPolarHBondContact CB-O 3.11Å; I26-F42 PolarHBondContact N-O 2.98Å; I26-F42 PolarHBondContact O-N 3.39Å; I26-S44 VanDerWaalsContact CD1-CA 3.5Å; I26-L89 HydrophobicContact CD1-CB 3.68Å; I26-L89 HydrophobicContact CD1-CD1 4.29Å; I26-L93 HydrophobicContact CB-CD1 4.46Å; I26-L93 HydrophobicContact CD1-CD1 3.22Å; I26-L93 HydrophobicContact CD1-CG 3.92Å; I26-L93 HydrophobicContact CG1-CD1 3.54Å; I26-L93 HydrophobicContact CG2-CD1 4.1Å; I26-L93 HydrophobicContact CG2-CD2 4.48Å; I26-T105 WeakPolarHBondContact CG2-OG1 3.46Å
27	N	86.7	Confident	72.9	Confident	64 Å²	64	75.6 Å²	75.6	34%	0.342	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	117.1	166.9	-90.6	-75.9	0	0	0	108	L41 T104 T105	N27-L41 HydrophobicContact CB-CD1 4.44Å; N27-L41 WeakPolarHBondContact ND2-CD1 3.36Å; N27-T104 HydrophobicContact CB-CG2 4.19Å; N27-T104 CarbonylContact O-C 3.51Å; N27-T104 VanDerWaalsContact O-CA 3.24Å; N27-T104 WeakPolarHBondContact O-CA 3.24Å; N27-T105 PolarHBondContact O-N 2.78Å
28	L	87.7	Confident	75.3	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.6	-178.9	-157.6	162.9	0	0	0	108.2	I26 L30 F40 F42 V51 L89 T105 M107	I26-L28 PolarHBondContact O-N 3.48Å; L28-L30 HydrophobicContact CD2-CD1 3.49Å; L28-L30 VanDerWaalsContact CD2-CD1 3.49Å; L28-L30 HydrophobicContact CD2-CD2 4.32Å; L28-L30 HydrophobicContact CD2-CG 3.47Å; L28-L30 VanDerWaalsContact CD2-CG 3.47Å; L28-F40 PolarHBondContact N-O 3.36Å; L28-F40 PolarHBondContact O-N 2.81Å; L28-F42 HydrophobicContact CB-CD2 3.76Å; L28-F42 HydrophobicContact CB-CE2 4.32Å; L28-F42 HydrophobicContact CD1-CD2 3.89Å; L28-F42 HydrophobicContact CD1-CE2 4.45Å; L28-F42 HydrophobicContact CG-CD2 4.37Å; L28-V51 HydrophobicContact CD1-CG2 4.45Å; L28-L89 HydrophobicContact CD1-CD1 3.75Å; L28-L89 HydrophobicContact CD1-CD2 3.48Å; L28-L89 VanDerWaalsContact CD1-CD2 3.48Å; L28-L89 HydrophobicContact CD1-CG 4.27Å; L28-T105 CarbonylContact C-O 3.51Å; L28-T105 VanDerWaalsContact CA-O 3.29Å; L28-T105 WeakPolarHBondContact CA-O 3.23Å; L28-M107 HydrophobicContact CD1-CE 4.34Å; L28-M107 HydrophobicContact CD1-SD 3.8Å; L28-M107 HydrophobicContact CD2-CB 3.9Å; L28-M107 HydrophobicContact CD2-CG 3.96Å; L28-M107 HydrophobicContact CD2-SD 4.09Å; L28-M107 HydrophobicContact CG-CG 4.29Å; L28-M107 HydrophobicContact CG-SD 4.2Å
29	R	90.3	Very high	77.4	Confident	114 Å²	114	69 Å²	69	43%	0.43	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	108.3	174.1	-179.5	174	-71.5	-171.5	-3.6	108.5	S38 T104 T105 V106 M107	R29-S38 CarbonylContact C-O 3.57Å; R29-S38 WeakPolarHBondContact CA-O 3.39Å; R29-T104 HydrophobicContact CB-CG2 3.89Å; R29-T105 PolarHBondContact N-O 2.91Å; R29-V106 HydrophobicContact CB-CG2 4.31Å; R29-V106 CarbonylContact O-C 3.45Å; R29-V106 WeakPolarHBondContact O-CA 3.01Å; R29-M107 PolarHBondContact O-N 2.82Å
30	L	90.1	Very high	79.3	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	132.5	172.8	-69.2	107.9	0	0	0	110	L28 T37 S38 F40 F42 V51 V55 W63 L76 M107 L109	L28-L30 HydrophobicContact CD2-CD1 3.49Å; L28-L30 VanDerWaalsContact CD2-CD1 3.49Å; L28-L30 HydrophobicContact CD2-CD2 4.32Å; L28-L30 HydrophobicContact CD2-CG 3.47Å; L28-L30 VanDerWaalsContact CD2-CG 3.47Å; L30-T37 CarbonylContact O-C 3.49Å; L30-T37 VanDerWaalsContact O-CA 3.23Å; L30-T37 WeakPolarHBondContact O-CA 3.24Å; L30-S38 PolarHBondContact N-O 3.46Å; L30-S38 PolarHBondContact O-N 3.44Å; L30-F40 HydrophobicContact CD1-CB 4.46Å; L30-F40 HydrophobicContact CD1-CD2 3.41Å; L30-F40 VanDerWaalsContact CD1-CD2 3.41Å; L30-F40 HydrophobicContact CD1-CE2 3.99Å; L30-F40 HydrophobicContact CD1-CG 4.29Å; L30-F42 HydrophobicContact CD1-CE2 4.05Å; L30-V51 HydrophobicContact CD1-CG1 4.49Å; L30-V51 HydrophobicContact CD2-CG1 4.17Å; L30-V55 HydrophobicContact CD1-CG2 4.06Å; L30-V55 HydrophobicContact CD2-CG2 4.14Å; L30-W63 HydrophobicContact CB-CH2 4.09Å; L30-L76 HydrophobicContact CD2-CD1 4.41Å; L30-M107 CarbonylContact C-O 3.44Å; L30-M107 VanDerWaalsContact CA-O 3.25Å; L30-M107 WeakPolarHBondContact CA-O 3.47Å; L30-L109 HydrophobicContact CD2-CB 3.93Å; L30-L109 HydrophobicContact CD2-CD1 4.05Å; L30-L109 HydrophobicContact CD2-CD2 4.18Å; L30-L109 HydrophobicContact CD2-CG 4.29Å
31	I	90.5	Very high	81.1	Confident	39 Å²	39	62.9 Å²	62.9	20%	0.2	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.2	175.1	-54.5	-173.5	0	0	0	108	K36 T37 V106 M107 H108 L109	I31-K36 CarbonylContact C-O 3.56Å; I31-K36 WeakPolarHBondContact CA-O 3.38Å; I31-T37 HydrophobicContact CB-CG2 4.22Å; I31-T37 HydrophobicContact CD1-CG2 4.25Å; I31-T37 HydrophobicContact CG1-CG2 3.73Å; I31-T37 HydrophobicContact CG2-CG2 4.05Å; I31-V106 HydrophobicContact CD1-CG1 3.37Å; I31-V106 HydrophobicContact CG1-CG1 3.88Å; I31-M107 PolarHBondContact N-O 2.97Å; I31-H108 CarbonylContact O-C 3.53Å; I31-H108 WeakPolarHBondContact O-CA 3.37Å; I31-L109 PolarHBondContact O-N 2.9Å
32	L	88.3	Confident	82.8	Confident	1 Å²	1	60 Å²	60	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	152.9	174.9	-155.6	63.9	0	0	0	110.3	C34 G35 K36 W63 E66 L109	L32-C34 HydrophobicContact CD2-CB 4.24Å; L32-C34 HydrophobicContact CG-CB 4.42Å; L32-C34 PolarHBondContact O-N 2.87Å; L32-C34 VanDerWaalsContact O-N 3.09Å; L32-G35 PolarHBondContact O-N 3.37Å; L32-K36 HydrophobicContact CB-CB 4.26Å; L32-K36 PolarHBondContact N-O 3.48Å; L32-W63 HydrophobicContact CD2-CB 4.2Å; L32-W63 HydrophobicContact CD2-CD2 4.15Å; L32-W63 HydrophobicContact CD2-CG 3.93Å; L32-E66 HydrophobicContact CD2-CB 3.7Å; L32-E66 HydrophobicContact CD2-CG 3.64Å; L32-E66 HydrophobicContact CG-CB 4.5Å; L32-E66 HydrophobicContact CG-CG 4.39Å; L32-L109 WeakPolarHBondContact CA-O 3.38Å; L32-L109 HydrophobicContact CD1-CB 4.12Å; L32-L109 HydrophobicContact CD1-CD2 4.01Å; L32-L109 HydrophobicContact CD1-CG 4.15Å
33	V	82	Confident	84.2	Confident	87 Å²	87	56.6 Å²	56.6	53%	0.527	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.9	174.6	-65.6	0	0	0	0	113.8	G35 L109 V110	V33-G35 PolarHBondContact O-N 3.5Å; V33-L109 PolarHBondContact N-O 3.48Å; V33-V110 HydrophobicContact CG1-CB 4Å; V33-V110 HydrophobicContact CG1-CG1 3.7Å; V33-V110 HydrophobicContact CG1-CG2 3.52Å
34	C	78.5	Confident	85.2	Confident	72 Å²	72	51.2 Å²	51.2	49%	0.486	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-8.6	174.3	-167.7	0	0	0	0	112.9	L32 K36 E66	L32-C34 HydrophobicContact CD2-CB 4.24Å; L32-C34 HydrophobicContact CG-CB 4.42Å; L32-C34 PolarHBondContact O-N 2.87Å; L32-C34 VanDerWaalsContact O-N 3.09Å; C34-K36 HydrophobicContact CB-CG 4.48Å; C34-E66 HydrophobicContact CB-CG 4.29Å
35	G	82.8	Confident	85.9	Confident	56 Å²	56	51 Å²	51	58%	0.577	29%	0.288	S	S	*	.	S	Bend	trans	91.7	-0.7	-176.7	0	0	0	0	0	114.4	L32 V33	L32-G35 PolarHBondContact O-N 3.37Å; V33-G35 PolarHBondContact O-N 3.5Å
36	K	86.2	Confident	86.3	Confident	65 Å²	65	50.7 Å²	50.7	28%	0.283	28%	0.284	S	S	.	.			trans	-75.5	140.6	176.6	-56.6	-179.4	-177.3	160.3	0	110.1	I31 L32 C34 E62 W63	I31-K36 CarbonylContact C-O 3.56Å; I31-K36 WeakPolarHBondContact CA-O 3.38Å; L32-K36 HydrophobicContact CB-CB 4.26Å; L32-K36 PolarHBondContact N-O 3.48Å; C34-K36 HydrophobicContact CB-CG 4.48Å; K36-E62 VanDerWaalsContact CD-O 3.3Å; K36-E62 WeakPolarHBondContact CD-O 3.45Å; K36-E62 VanDerWaalsContact CE-O 3.29Å; K36-E62 WeakPolarHBondContact CE-O 3.31Å; K36-E62 PolarHBondContact NZ-O 3.06Å; K36-W63 VanDerWaalsContact CB-NE1 3.3Å; K36-W63 VanDerWaalsContact CD-CD1 3.43Å; K36-W63 HydrophobicContact CD-CG 4.41Å
37	T	90.5	Very high	86.7	Confident	75 Å²	75	51.1 Å²	51.1	46%	0.46	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.1	-180	67.2	0	0	0	0	111.2	L30 I31	L30-T37 CarbonylContact O-C 3.49Å; L30-T37 VanDerWaalsContact O-CA 3.23Å; L30-T37 WeakPolarHBondContact O-CA 3.24Å; I31-T37 HydrophobicContact CB-CG2 4.22Å; I31-T37 HydrophobicContact CD1-CG2 4.25Å; I31-T37 HydrophobicContact CG1-CG2 3.73Å; I31-T37 HydrophobicContact CG2-CG2 4.05Å
38	S	88.9	Confident	86.8	Confident	22 Å²	22	48.3 Å²	48.3	15%	0.154	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	137.7	172.9	-64.7	0	0	0	0	110.3	R29 L30 F40 W63	R29-S38 CarbonylContact C-O 3.57Å; R29-S38 WeakPolarHBondContact CA-O 3.39Å; L30-S38 PolarHBondContact N-O 3.46Å; L30-S38 PolarHBondContact O-N 3.44Å; S38-F40 VanDerWaalsContact CB-CE2 3.43Å; S38-W63 WeakPolarHBondContact OG-CZ2 3.34Å
39	D	89.5	Confident	86.8	Confident	110 Å²	110	50.5 Å²	50.5	59%	0.588	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.7	137.3	172.7	57	-78	0	0	0	111
40	F	87.7	Confident	86.9	Confident	35 Å²	35	48.2 Å²	48.2	15%	0.154	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.1	176.7	-66.1	-86.8	0	0	0	108.8	L28 L30 S38 F42 Y54 V55 W63	L28-F40 PolarHBondContact N-O 3.36Å; L28-F40 PolarHBondContact O-N 2.81Å; L30-F40 HydrophobicContact CD1-CB 4.46Å; L30-F40 HydrophobicContact CD1-CD2 3.41Å; L30-F40 VanDerWaalsContact CD1-CD2 3.41Å; L30-F40 HydrophobicContact CD1-CE2 3.99Å; L30-F40 HydrophobicContact CD1-CG 4.29Å; S38-F40 VanDerWaalsContact CB-CE2 3.43Å; F40-F42 HydrophobicContact CB-CD2 3.94Å; F40-F42 HydrophobicContact CB-CE2 3.28Å; F40-F42 HydrophobicContact CB-CZ 3.7Å; F40-F42 HydrophobicContact CG-CE2 4.06Å; F40-F42 HydrophobicContact CG-CZ 4.15Å; F40-Y54 HydrophobicContact CD1-CE1 4.02Å; F40-Y54 HydrophobicContact CE1-CE1 4.41Å; F40-V55 HydrophobicContact CE2-CG2 4.39Å; F40-W63 HydrophobicContact CE2-CH2 4.07Å; F40-W63 HydrophobicContact CE2-CZ3 4.36Å
41	L	86.9	Confident	86.9	Confident	83 Å²	83	48.2 Å²	48.2	44%	0.435	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	109.4	177.3	-167.1	73.9	0	0	0	109.2	Q25 N27	Q25-L41 HydrophobicContact CB-CD1 4.1Å; Q25-L41 HydrophobicContact CB-CD2 4.22Å; Q25-L41 HydrophobicContact CB-CG 4.06Å; Q25-L41 HydrophobicContact CG-CD2 3.99Å; Q25-L41 HydrophobicContact CG-CG 3.91Å; Q25-L41 VanDerWaalsContact OE1-CD2 3.32Å; N27-L41 HydrophobicContact CB-CD1 4.44Å; N27-L41 WeakPolarHBondContact ND2-CD1 3.36Å
42	F	86.9	Confident	86.8	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.009	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.1	178.5	-65.9	-72.8	0	0	0	111	I26 L28 L30 F40 Y46 V51 Y54 V55 L89	I26-F42 WeakPolarHBondContact CA-O 3.24Å; I26-F42 WeakPolarHBondContact CB-O 3.11Å; I26-F42 PolarHBondContact N-O 2.98Å; I26-F42 PolarHBondContact O-N 3.39Å; L28-F42 HydrophobicContact CB-CD2 3.76Å; L28-F42 HydrophobicContact CB-CE2 4.32Å; L28-F42 HydrophobicContact CD1-CD2 3.89Å; L28-F42 HydrophobicContact CD1-CE2 4.45Å; L28-F42 HydrophobicContact CG-CD2 4.37Å; L30-F42 HydrophobicContact CD1-CE2 4.05Å; F40-F42 HydrophobicContact CB-CD2 3.94Å; F40-F42 HydrophobicContact CB-CE2 3.28Å; F40-F42 HydrophobicContact CB-CZ 3.7Å; F40-F42 HydrophobicContact CG-CE2 4.06Å; F40-F42 HydrophobicContact CG-CZ 4.15Å; F42-Y46 AromaticContact CD1-CD1 3.89Å; F42-Y46 HydrophobicContact CD1-CD1 3.89Å; F42-Y46 HydrophobicContact CD1-CE1 4.25Å; F42-Y46 HydrophobicContact CE1-CD1 4.49Å; F42-V51 HydrophobicContact CD1-CG2 4.26Å; F42-V51 HydrophobicContact CD2-CG1 4.37Å; F42-V51 HydrophobicContact CD2-CG2 4.19Å; F42-V51 HydrophobicContact CE1-CG2 4.42Å; F42-V51 HydrophobicContact CE2-CG1 3.79Å; F42-V51 HydrophobicContact CE2-CG2 4.33Å; F42-V51 HydrophobicContact CG-CG2 4.13Å; F42-V51 HydrophobicContact CZ-CG1 3.92Å; F42-V51 HydrophobicContact CZ-CG2 4.46Å; F42-Y54 AromaticContact CE1-CD1 3.33Å; F42-Y54 HydrophobicContact CE1-CD1 3.33Å; F42-Y54 HydrophobicContact CE1-CD2 4.32Å; F42-Y54 AromaticContact CE1-CE1 3.91Å; F42-Y54 HydrophobicContact CE1-CE1 3.91Å; F42-Y54 AromaticContact CE1-CG 3.56Å; F42-Y54 HydrophobicContact CE1-CG 3.56Å; F42-Y54 AromaticContact CZ-CD1 3.55Å; F42-Y54 HydrophobicContact CZ-CD1 3.55Å; F42-Y54 HydrophobicContact CZ-CE1 4.13Å; F42-Y54 HydrophobicContact CZ-CG 4.17Å; F42-V55 HydrophobicContact CZ-CG2 4.35Å; F42-L89 HydrophobicContact CB-CD1 3.5Å; F42-L89 VanDerWaalsContact CB-CD1 3.5Å; F42-L89 HydrophobicContact CG-CD1 4.27Å
43	P	84.2	Confident	86.9	Confident	26 Å²	26	52.2 Å²	52.2	17%	0.169	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	151.5	170.3	28.2	-26.2	0	0	0	110.7	F24 T45 Y46	F24-P43 CarbonylContact O-C 3.25Å; F24-P43 WeakPolarHBondContact O-CA 3.5Å; P43-T45 PolarHBondContact O-N 3.3Å; P43-Y46 HydrophobicContact CG-CD2 3.37Å; P43-Y46 HydrophobicContact CG-CE2 3.37Å; P43-Y46 HydrophobicContact CG-CG 4.32Å; P43-Y46 PolarHBondContact O-N 3.45Å
44	S	81.2	Confident	87.2	Confident	24 Å²	24	52 Å²	52	17%	0.168	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.6	-179.3	70.7	0	0	0	0	114.6	F24 I26 Y46 G90	F24-S44 PolarHBondContact O-N 3.02Å; I26-S44 VanDerWaalsContact CD1-CA 3.5Å; S44-Y46 VanDerWaalsContact C-N 3.27Å; S44-Y46 PolarHBondContact O-N 2.89Å; S44-G90 PolarHBondContact O-N 2.79Å
45	T	84.4	Confident	87.6	Confident	98 Å²	98	48.6 Å²	48.6	60%	0.601	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.5	175.2	53.3	0	0	0	0	113.5	P43	P43-T45 PolarHBondContact O-N 3.3Å
46	Y	87.8	Confident	87.9	Confident	82 Å²	82	48.5 Å²	48.5	32%	0.322	26%	0.257	S	S	.	.			trans	-76.1	141.5	-176.4	-85.5	-132	0	0	0	111.9	F42 P43 S44 D50 T88 L89	F42-Y46 AromaticContact CD1-CD1 3.89Å; F42-Y46 HydrophobicContact CD1-CD1 3.89Å; F42-Y46 HydrophobicContact CD1-CE1 4.25Å; F42-Y46 HydrophobicContact CE1-CD1 4.49Å; P43-Y46 HydrophobicContact CG-CD2 3.37Å; P43-Y46 HydrophobicContact CG-CE2 3.37Å; P43-Y46 HydrophobicContact CG-CG 4.32Å; P43-Y46 PolarHBondContact O-N 3.45Å; S44-Y46 VanDerWaalsContact C-N 3.27Å; S44-Y46 PolarHBondContact O-N 2.89Å; Y46-D50 HydrophobicContact CD1-CB 3.6Å; Y46-D50 HydrophobicContact CE1-CB 4.26Å; Y46-D50 HydrophobicContact CG-CB 4.07Å; Y46-T88 WeakPolarHBondContact O-CA 3.16Å; Y46-L89 WeakPolarHBondContact O-CG 3.42Å; Y46-L89 PolarHBondContact O-N 3.42Å
47	S	90.4	Very high	88	Confident	18 Å²	18	51.5 Å²	51.5	13%	0.126	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-86.7	163.8	169.9	76.2	0	0	0	0	112.6	A49 D50 V51 G85 V87	S47-A49 PolarHBondContact O-N 2.87Å; S47-A49 PolarHBondContact OG-N 3.03Å; S47-D50 VanDerWaalsContact CB-OD2 3.24Å; S47-D50 WeakPolarHBondContact CB-OD2 3.4Å; S47-D50 PolarHBondContact N-OD2 3.21Å; S47-D50 WeakPolarHBondContact O-CB 3.24Å; S47-D50 PolarHBondContact O-N 3Å; S47-D50 PolarHBondContact OG-N 3.02Å; S47-D50 VanDerWaalsContact OG-N 3.14Å; S47-D50 PolarHBondContact OG-OD2 2.8Å; S47-V51 WeakPolarHBondContact O-CG2 3.29Å; S47-V51 PolarHBondContact O-N 3.46Å; S47-G85 WeakPolarHBondContact CB-O 3.46Å; S47-G85 PolarHBondContact OG-O 2.86Å; S47-V87 CarbonylContact C-O 3.53Å; S47-V87 WeakPolarHBondContact CA-O 3.47Å
48	A	87.8	Confident	87.8	Confident	5 Å²	5	52.3 Å²	52.3	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-59.9	-31.3	173.7	0	0	0	0	0	111.6	A52 L76 L83 H84 V87	A48-A52 VanDerWaalsContact O-CB 3.3Å; A48-A52 WeakPolarHBondContact O-CB 3.33Å; A48-A52 PolarHBondContact O-N 2.79Å; A48-L76 HydrophobicContact CB-CB 4.43Å; A48-L76 HydrophobicContact CB-CD2 3.92Å; A48-L83 HydrophobicContact CB-CB 4.12Å; A48-L83 HydrophobicContact CB-CD2 4.41Å; A48-H84 WeakPolarHBondContact CB-O 3.22Å; A48-V87 PolarHBondContact N-O 3.36Å
49	A	88.9	Confident	87.6	Confident	47 Å²	47	52.7 Å²	52.7	39%	0.388	27%	0.272	S	S	.	.	H	α-helix	trans	-68.7	-41.8	171.6	0	0	0	0	0	112	S47 A52 Q53 G85	S47-A49 PolarHBondContact O-N 2.87Å; S47-A49 PolarHBondContact OG-N 3.03Å; A49-A52 PolarHBondContact O-N 2.75Å; A49-Q53 WeakPolarHBondContact O-CB 3.48Å; A49-Q53 PolarHBondContact O-N 2.52Å; A49-G85 WeakPolarHBondContact CB-O 3.29Å; A49-G85 PolarHBondContact N-O 3Å
50	D	91	Very high	87.2	Confident	65 Å²	65	48.7 Å²	48.7	35%	0.348	25%	0.253	S	S	.	.	H	α-helix	trans	-63.2	-42.6	175.1	-65	-71.1	0	0	0	111.2	Y46 S47 Q53 Y54	Y46-D50 HydrophobicContact CD1-CB 3.6Å; Y46-D50 HydrophobicContact CE1-CB 4.26Å; Y46-D50 HydrophobicContact CG-CB 4.07Å; S47-D50 VanDerWaalsContact CB-OD2 3.24Å; S47-D50 WeakPolarHBondContact CB-OD2 3.4Å; S47-D50 PolarHBondContact N-OD2 3.21Å; S47-D50 WeakPolarHBondContact O-CB 3.24Å; S47-D50 PolarHBondContact O-N 3Å; S47-D50 PolarHBondContact OG-N 3.02Å; S47-D50 VanDerWaalsContact OG-N 3.14Å; S47-D50 PolarHBondContact OG-OD2 2.8Å; D50-Q53 PolarHBondContact O-N 3.14Å; D50-Y54 VanDerWaalsContact O-CB 3.28Å; D50-Y54 WeakPolarHBondContact O-CB 3.41Å; D50-Y54 PolarHBondContact O-N 3.44Å
51	V	89.8	Confident	87	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-46.8	175.4	173.8	0	0	0	0	110.5	L28 L30 F42 S47 Q53 Y54 V55 L76 L89	L28-V51 HydrophobicContact CD1-CG2 4.45Å; L30-V51 HydrophobicContact CD1-CG1 4.49Å; L30-V51 HydrophobicContact CD2-CG1 4.17Å; F42-V51 HydrophobicContact CD1-CG2 4.26Å; F42-V51 HydrophobicContact CD2-CG1 4.37Å; F42-V51 HydrophobicContact CD2-CG2 4.19Å; F42-V51 HydrophobicContact CE1-CG2 4.42Å; F42-V51 HydrophobicContact CE2-CG1 3.79Å; F42-V51 HydrophobicContact CE2-CG2 4.33Å; F42-V51 HydrophobicContact CG-CG2 4.13Å; F42-V51 HydrophobicContact CZ-CG1 3.92Å; F42-V51 HydrophobicContact CZ-CG2 4.46Å; S47-V51 WeakPolarHBondContact O-CG2 3.29Å; S47-V51 PolarHBondContact O-N 3.46Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 3.11Å; V51-Y54 PolarHBondContact O-N 2.61Å; V51-V55 HydrophobicContact CG1-CG2 4.37Å; V51-V55 WeakPolarHBondContact O-CB 3.47Å; V51-V55 VanDerWaalsContact O-CG2 3.24Å; V51-V55 WeakPolarHBondContact O-CG2 3.47Å; V51-V55 PolarHBondContact O-N 2.85Å; V51-L76 HydrophobicContact CB-CD2 4.15Å; V51-L76 HydrophobicContact CG1-CD2 3.97Å; V51-L89 HydrophobicContact CG2-CD1 3.93Å; V51-L89 HydrophobicContact CG2-CD2 4.27Å; V51-L89 HydrophobicContact CG2-CG 4.23Å
52	A	89.1	Confident	86.7	Confident	2 Å²	2	54.7 Å²	54.7	2%	0.017	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-43.2	175.5	0	0	0	0	0	112.1	A48 A49 F56 L74	A48-A52 VanDerWaalsContact O-CB 3.3Å; A48-A52 WeakPolarHBondContact O-CB 3.33Å; A48-A52 PolarHBondContact O-N 2.79Å; A49-A52 PolarHBondContact O-N 2.75Å; A52-F56 VanDerWaalsContact O-CB 3.22Å; A52-F56 WeakPolarHBondContact O-CB 3.4Å; A52-F56 PolarHBondContact O-N 3.33Å; A52-L74 HydrophobicContact CB-CB 3.86Å; A52-L74 HydrophobicContact CB-CD1 4.07Å; A52-L74 VanDerWaalsContact O-CD1 3.29Å; A52-L74 WeakPolarHBondContact O-CD1 3.27Å
53	Q	89.8	Confident	86.6	Confident	122 Å²	122	54.7 Å²	54.7	57%	0.57	29%	0.29	S	S	*	.	H	α-helix	trans	-67.2	-42	178.2	-175.1	172.1	59.8	0	0	112	A49 D50 V51 F56 D57 A71	A49-Q53 WeakPolarHBondContact O-CB 3.48Å; A49-Q53 PolarHBondContact O-N 2.52Å; D50-Q53 PolarHBondContact O-N 3.14Å; V51-Q53 VanDerWaalsContact C-N 3.32Å; V51-Q53 PolarHBondContact O-N 3.11Å; Q53-F56 WeakPolarHBondContact O-CB 3.48Å; Q53-F56 PolarHBondContact O-N 2.9Å; Q53-D57 PolarHBondContact O-N 3.36Å; Q53-A71 HydrophobicContact CB-CB 4.06Å
54	Y	89.1	Confident	86.4	Confident	84 Å²	84	59.1 Å²	59.1	33%	0.329	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-45.8	176.4	-175.6	-87.1	0	0	0	111.3	F40 F42 D50 V51 F56 D57 H58	F40-Y54 HydrophobicContact CD1-CE1 4.02Å; F40-Y54 HydrophobicContact CE1-CE1 4.41Å; F42-Y54 AromaticContact CE1-CD1 3.33Å; F42-Y54 HydrophobicContact CE1-CD1 3.33Å; F42-Y54 HydrophobicContact CE1-CD2 4.32Å; F42-Y54 AromaticContact CE1-CE1 3.91Å; F42-Y54 HydrophobicContact CE1-CE1 3.91Å; F42-Y54 AromaticContact CE1-CG 3.56Å; F42-Y54 HydrophobicContact CE1-CG 3.56Å; F42-Y54 AromaticContact CZ-CD1 3.55Å; F42-Y54 HydrophobicContact CZ-CD1 3.55Å; F42-Y54 HydrophobicContact CZ-CE1 4.13Å; F42-Y54 HydrophobicContact CZ-CG 4.17Å; D50-Y54 VanDerWaalsContact O-CB 3.28Å; D50-Y54 WeakPolarHBondContact O-CB 3.41Å; D50-Y54 PolarHBondContact O-N 3.44Å; V51-Y54 PolarHBondContact O-N 2.61Å; Y54-F56 VanDerWaalsContact C-N 3.27Å; Y54-F56 PolarHBondContact O-N 2.95Å; Y54-D57 PolarHBondContact O-N 3.28Å; Y54-H58 HydrophobicContact CD1-CB 4.35Å; Y54-H58 AromaticContact CD1-CD2 3.83Å; Y54-H58 AromaticContact CD2-CD2 3.61Å; Y54-H58 AromaticContact CD2-NE2 3.98Å; Y54-H58 HydrophobicContact CE1-CB 4.09Å; Y54-H58 AromaticContact CE1-CD2 3.55Å; Y54-H58 AromaticContact CE1-CG 3.88Å; Y54-H58 AromaticContact CE2-CD2 3.31Å; Y54-H58 WeakPolarHBondContact CE2-CD2 3.3Å; Y54-H58 AromaticContact CE2-NE2 3.34Å; Y54-H58 VanDerWaalsContact CE2-NE2 3.34Å; Y54-H58 WeakPolarHBondContact CE2-NE2 3.22Å; Y54-H58 AromaticContact CG-CD2 3.87Å; Y54-H58 AromaticContact CZ-CD2 3.28Å; Y54-H58 AromaticContact CZ-CG 3.87Å; Y54-H58 AromaticContact CZ-NE2 3.51Å; Y54-H58 WeakPolarHBondContact O-CB 3.42Å; Y54-H58 PolarHBondContact O-CD2 3.04Å; Y54-H58 PolarHBondContact O-N 3.35Å
55	V	87.9	Confident	86.4	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-37.3	175.7	172.8	0	0	0	0	110.8	L30 F40 F42 V51 H58 W59 W63 L109	L30-V55 HydrophobicContact CD1-CG2 4.06Å; L30-V55 HydrophobicContact CD2-CG2 4.14Å; F40-V55 HydrophobicContact CE2-CG2 4.39Å; F42-V55 HydrophobicContact CZ-CG2 4.35Å; V51-V55 HydrophobicContact CG1-CG2 4.37Å; V51-V55 WeakPolarHBondContact O-CB 3.47Å; V51-V55 VanDerWaalsContact O-CG2 3.24Å; V51-V55 WeakPolarHBondContact O-CG2 3.47Å; V51-V55 PolarHBondContact O-N 2.85Å; V55-H58 CarbonylContact O-C 3.43Å; V55-H58 VanDerWaalsContact O-C 3.25Å; V55-W59 HydrophobicContact CG1-CE3 3.92Å; V55-W59 HydrophobicContact CG1-CZ3 3.91Å; V55-W59 WeakPolarHBondContact O-CA 3.46Å; V55-W59 PolarHBondContact O-N 2.89Å; V55-W63 HydrophobicContact CG1-CE3 4.22Å; V55-W63 HydrophobicContact CG1-CZ3 3.73Å; V55-L109 HydrophobicContact CG1-CD2 3.68Å
56	F	87.4	Confident	86.3	Confident	54 Å²	54	63.4 Å²	63.4	24%	0.237	32%	0.324	C	S	.	.	H	α-helix	trans	-63.6	-38.1	175.1	-178.5	-95.7	0	0	0	113.4	A52 Q53 Y54 V68 A71 L74	A52-F56 VanDerWaalsContact O-CB 3.22Å; A52-F56 WeakPolarHBondContact O-CB 3.4Å; A52-F56 PolarHBondContact O-N 3.33Å; Q53-F56 WeakPolarHBondContact O-CB 3.48Å; Q53-F56 PolarHBondContact O-N 2.9Å; Y54-F56 VanDerWaalsContact C-N 3.27Å; Y54-F56 PolarHBondContact O-N 2.95Å; F56-V68 HydrophobicContact CD2-CG2 3.94Å; F56-V68 HydrophobicContact CE2-CG2 4.11Å; F56-V68 WeakPolarHBondContact CE2-O 3.47Å; F56-A71 HydrophobicContact CB-CB 3.99Å; F56-A71 HydrophobicContact CG-CB 4.2Å; F56-L74 HydrophobicContact CB-CD1 4.22Å
57	D	88.4	Confident	85.9	Confident	127 Å²	127	66.6 Å²	66.6	68%	0.679	34%	0.335	S	S	*	.	H	α-helix	trans	-75.7	-48.2	176.5	-165.7	-106.5	0	0	0	111.4	Q53 Y54 W59	Q53-D57 PolarHBondContact O-N 3.36Å; Y54-D57 PolarHBondContact O-N 3.28Å; D57-W59 PolarHBondContact O-N 3.39Å
58	H	87	Confident	85.5	Confident	93 Å²	93	66.6 Å²	66.6	43%	0.431	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	41.6	175	-66.4	-84	0	0	0	112.3	Y54 V55 P60	Y54-H58 HydrophobicContact CD1-CB 4.35Å; Y54-H58 AromaticContact CD1-CD2 3.83Å; Y54-H58 AromaticContact CD2-CD2 3.61Å; Y54-H58 AromaticContact CD2-NE2 3.98Å; Y54-H58 HydrophobicContact CE1-CB 4.09Å; Y54-H58 AromaticContact CE1-CD2 3.55Å; Y54-H58 AromaticContact CE1-CG 3.88Å; Y54-H58 AromaticContact CE2-CD2 3.31Å; Y54-H58 WeakPolarHBondContact CE2-CD2 3.3Å; Y54-H58 AromaticContact CE2-NE2 3.34Å; Y54-H58 VanDerWaalsContact CE2-NE2 3.34Å; Y54-H58 WeakPolarHBondContact CE2-NE2 3.22Å; Y54-H58 AromaticContact CG-CD2 3.87Å; Y54-H58 AromaticContact CZ-CD2 3.28Å; Y54-H58 AromaticContact CZ-CG 3.87Å; Y54-H58 AromaticContact CZ-NE2 3.51Å; Y54-H58 WeakPolarHBondContact O-CB 3.42Å; Y54-H58 PolarHBondContact O-CD2 3.04Å; Y54-H58 PolarHBondContact O-N 3.35Å; V55-H58 CarbonylContact O-C 3.43Å; V55-H58 VanDerWaalsContact O-C 3.25Å; H58-P60 VanDerWaalsContact O-CD 3.29Å; H58-P60 WeakPolarHBondContact O-CD 3.32Å
59	W	84.9	Confident	85.3	Confident	29 Å²	29	73.2 Å²	73.2	11%	0.11	36%	0.364	C	S	.	.			trans	-68.6	117.4	-175.9	-163.1	-91.1	0	0	0	110.2	V55 D57 W63 E66 R67 L74 L109	V55-W59 HydrophobicContact CG1-CE3 3.92Å; V55-W59 HydrophobicContact CG1-CZ3 3.91Å; V55-W59 WeakPolarHBondContact O-CA 3.46Å; V55-W59 PolarHBondContact O-N 2.89Å; D57-W59 PolarHBondContact O-N 3.39Å; W59-W63 HydrophobicContact CZ2-CB 3.92Å; W59-W63 WeakPolarHBondContact CZ2-O 3.28Å; W59-W63 PolarHBondContact NE1-O 2.77Å; W59-E66 HydrophobicContact CZ2-CB 4.23Å; W59-E66 WeakPolarHBondContact CZ2-O 3.4Å; W59-R67 HydrophobicContact CD2-CG 4.39Å; W59-R67 HydrophobicContact CG-CG 4.38Å; W59-R67 HydrophobicContact CZ2-CB 4.32Å; W59-L74 HydrophobicContact CH2-CD2 4.02Å; W59-L74 HydrophobicContact CZ3-CD1 3.99Å; W59-L74 HydrophobicContact CZ3-CD2 3.98Å; W59-L109 HydrophobicContact CZ3-CD2 4.38Å
60	P	81.7	Confident	85.1	Confident	27 Å²	27	73.7 Å²	73.7	18%	0.175	37%	0.365	C	S	.	.			trans	-70.3	142.5	-180	28.1	-32.3	0	0	0	110.1	H58 E62 W63	H58-P60 VanDerWaalsContact O-CD 3.29Å; H58-P60 WeakPolarHBondContact O-CD 3.32Å; P60-E62 PolarHBondContact O-N 2.87Å; P60-E62 VanDerWaalsContact O-N 3.14Å; P60-W63 HydrophobicContact CG-CB 3.93Å; P60-W63 HydrophobicContact CG-CD2 3.41Å; P60-W63 VanDerWaalsContact CG-CD2 3.41Å; P60-W63 HydrophobicContact CG-CE3 3.63Å; P60-W63 HydrophobicContact CG-CG 3.54Å; P60-W63 HydrophobicContact CG-CZ3 4.31Å; P60-W63 PolarHBondContact O-N 3.28Å
61	S	83.1	Confident	84.7	Confident	98 Å²	98	71.5 Å²	71.5	69%	0.685	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-58.1	-28.6	177.2	-56.8	0	0	0	0	112.2	W63 E64	S61-W63 PolarHBondContact O-N 2.94Å; S61-E64 VanDerWaalsContact O-CB 3.24Å; S61-E64 WeakPolarHBondContact O-CB 3.37Å; S61-E64 PolarHBondContact O-N 3.34Å; S61-E64 VanDerWaalsContact O-N 3.16Å
62	E	81.1	Confident	84.4	Confident	146 Å²	146	76.8 Å²	76.8	68%	0.682	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-61.9	-24.7	173.9	-65.1	171.6	82.9	0	0	112.5	K36 P60	K36-E62 VanDerWaalsContact CD-O 3.3Å; K36-E62 WeakPolarHBondContact CD-O 3.45Å; K36-E62 VanDerWaalsContact CE-O 3.29Å; K36-E62 WeakPolarHBondContact CE-O 3.31Å; K36-E62 PolarHBondContact NZ-O 3.06Å; P60-E62 PolarHBondContact O-N 2.87Å; P60-E62 VanDerWaalsContact O-N 3.14Å
63	W	82.9	Confident	84.1	Confident	2 Å²	2	78.7 Å²	78.7	1%	0.008	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-101.4	6.5	179.9	-62	4	0	0	0	112.3	L30 L32 K36 S38 F40 V55 W59 P60 S61 D65 E66 R67 L109	L30-W63 HydrophobicContact CB-CH2 4.09Å; L32-W63 HydrophobicContact CD2-CB 4.2Å; L32-W63 HydrophobicContact CD2-CD2 4.15Å; L32-W63 HydrophobicContact CD2-CG 3.93Å; K36-W63 VanDerWaalsContact CB-NE1 3.3Å; K36-W63 VanDerWaalsContact CD-CD1 3.43Å; K36-W63 HydrophobicContact CD-CG 4.41Å; S38-W63 WeakPolarHBondContact OG-CZ2 3.34Å; F40-W63 HydrophobicContact CE2-CH2 4.07Å; F40-W63 HydrophobicContact CE2-CZ3 4.36Å; V55-W63 HydrophobicContact CG1-CE3 4.22Å; V55-W63 HydrophobicContact CG1-CZ3 3.73Å; W59-W63 HydrophobicContact CZ2-CB 3.92Å; W59-W63 WeakPolarHBondContact CZ2-O 3.28Å; W59-W63 PolarHBondContact NE1-O 2.77Å; P60-W63 HydrophobicContact CG-CB 3.93Å; P60-W63 HydrophobicContact CG-CD2 3.41Å; P60-W63 VanDerWaalsContact CG-CD2 3.41Å; P60-W63 HydrophobicContact CG-CE3 3.63Å; P60-W63 HydrophobicContact CG-CG 3.54Å; P60-W63 HydrophobicContact CG-CZ3 4.31Å; P60-W63 PolarHBondContact O-N 3.28Å; S61-W63 PolarHBondContact O-N 2.94Å; W63-D65 VanDerWaalsContact C-N 3.26Å; W63-D65 PolarHBondContact O-N 3.29Å; W63-E66 PolarHBondContact O-N 2.82Å; W63-R67 PolarHBondContact O-N 2.78Å; W63-L109 HydrophobicContact CE3-CD2 4.47Å; W63-L109 HydrophobicContact CZ3-CD2 3.98Å
64	E	81.4	Confident	84	Confident	118 Å²	118	73.5 Å²	73.5	55%	0.551	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-57.1	-36.4	-171.6	-158.4	176.8	115.7	0	0	113.2	S61 E66 R67	S61-E64 VanDerWaalsContact O-CB 3.24Å; S61-E64 WeakPolarHBondContact O-CB 3.37Å; S61-E64 PolarHBondContact O-N 3.34Å; S61-E64 VanDerWaalsContact O-N 3.16Å; E64-E66 PolarHBondContact O-N 2.96Å; E64-R67 WeakPolarHBondContact O-CB 3.41Å; E64-R67 PolarHBondContact O-N 3.29Å
65	D	81.5	Confident	83.8	Confident	152 Å²	152	72.8 Å²	72.8	81%	0.813	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-53.1	-35.1	171.4	-98.6	-91.3	0	0	0	113.9	W63	W63-D65 VanDerWaalsContact C-N 3.26Å; W63-D65 PolarHBondContact O-N 3.29Å
66	E	80.7	Confident	83.8	Confident	61 Å²	61	72.9 Å²	72.9	29%	0.285	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-97.7	8.1	-176.4	-67.1	-75.5	103.2	0	0	112	L32 C34 W59 W63 E64 V68	L32-E66 HydrophobicContact CD2-CB 3.7Å; L32-E66 HydrophobicContact CD2-CG 3.64Å; L32-E66 HydrophobicContact CG-CB 4.5Å; L32-E66 HydrophobicContact CG-CG 4.39Å; C34-E66 HydrophobicContact CB-CG 4.29Å; W59-E66 HydrophobicContact CZ2-CB 4.23Å; W59-E66 WeakPolarHBondContact CZ2-O 3.4Å; W63-E66 PolarHBondContact O-N 2.82Å; E64-E66 PolarHBondContact O-N 2.96Å; E66-V68 PolarHBondContact O-N 3.24Å
67	R	80.4	Confident	83.8	Confident	148 Å²	148	71.6 Å²	71.6	56%	0.558	37%	0.373	S	S	*	.			trans	-62.1	122.2	-177.8	-170	176.1	-177.5	170.9	4	110.1	W59 W63 E64	W59-R67 HydrophobicContact CD2-CG 4.39Å; W59-R67 HydrophobicContact CG-CG 4.38Å; W59-R67 HydrophobicContact CZ2-CB 4.32Å; W63-R67 PolarHBondContact O-N 2.78Å; E64-R67 WeakPolarHBondContact O-CB 3.41Å; E64-R67 PolarHBondContact O-N 3.29Å
68	V	81.6	Confident	83.6	Confident	18 Å²	18	67.6 Å²	67.6	11%	0.109	35%	0.348	C	S	.	.			trans	-84.6	170.9	176.9	-64.9	0	0	0	0	111.7	F56 E66 S70 L73 L74 A111	F56-V68 HydrophobicContact CD2-CG2 3.94Å; F56-V68 HydrophobicContact CE2-CG2 4.11Å; F56-V68 WeakPolarHBondContact CE2-O 3.47Å; E66-V68 PolarHBondContact O-N 3.24Å; V68-S70 VanDerWaalsContact CG2-O 3.22Å; V68-S70 WeakPolarHBondContact CG2-O 3.5Å; V68-L73 HydrophobicContact CB-CB 4.28Å; V68-L73 HydrophobicContact CB-CD1 4.46Å; V68-L73 HydrophobicContact CG1-CB 4.39Å; V68-L74 HydrophobicContact CG1-CD2 3.97Å; V68-L74 HydrophobicContact CG2-CD1 4.29Å; V68-L74 HydrophobicContact CG2-CD2 3.72Å; V68-L74 HydrophobicContact CG2-CG 3.78Å; V68-A111 HydrophobicContact CG1-CB 3.37Å
69	Q	83.7	Confident	83.3	Confident	145 Å²	145	71.4 Å²	71.4	68%	0.678	37%	0.366	S	S	*	.	S	Bend	trans	-79.3	-21.4	174.6	-61.4	-179.9	41	0	0	112.7	L73 K113	Q69-L73 HydrophobicContact CB-CD1 4.28Å; Q69-K113 VanDerWaalsContact NE2-NZ 3.16Å
70	S	83.9	Confident	83	Confident	56 Å²	56	73.2 Å²	73.2	39%	0.392	39%	0.394	S	S	.	.			trans	-158	144.4	-175.2	-53.9	0	0	0	0	111.6	V68 S72 L73	V68-S70 VanDerWaalsContact CG2-O 3.22Å; V68-S70 WeakPolarHBondContact CG2-O 3.5Å; S70-S72 PolarHBondContact O-N 3.13Å; S70-S72 VanDerWaalsContact O-N 3.16Å; S70-L73 WeakPolarHBondContact O-CB 3.3Å; S70-L73 PolarHBondContact O-N 3.26Å
71	A	84.2	Confident	83	Confident	19 Å²	19	81.2 Å²	81.2	16%	0.157	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-55.5	-31.4	175.3	0	0	0	0	0	113.3	Q53 F56 L73 L74	Q53-A71 HydrophobicContact CB-CB 4.06Å; F56-A71 HydrophobicContact CB-CB 3.99Å; F56-A71 HydrophobicContact CG-CB 4.2Å; A71-L73 PolarHBondContact O-N 2.92Å; A71-L73 VanDerWaalsContact O-N 3.16Å; A71-L74 VanDerWaalsContact O-CB 3.29Å; A71-L74 WeakPolarHBondContact O-CB 3.31Å; A71-L74 PolarHBondContact O-N 3.47Å
72	S	82.3	Confident	82.9	Confident	111 Å²	111	81.5 Å²	81.5	78%	0.776	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-64	-18.2	177.1	-46.6	0	0	0	0	114.3	S70 L74	S70-S72 PolarHBondContact O-N 3.13Å; S70-S72 VanDerWaalsContact O-N 3.16Å; S72-L74 VanDerWaalsContact C-N 3.32Å
73	L	83.9	Confident	83	Confident	43 Å²	43	75.4 Å²	75.4	23%	0.225	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-85.3	-11.3	176.2	-58.2	176.6	0	0	0	112.3	V68 Q69 S70 A71 K113	V68-L73 HydrophobicContact CB-CB 4.28Å; V68-L73 HydrophobicContact CB-CD1 4.46Å; V68-L73 HydrophobicContact CG1-CB 4.39Å; Q69-L73 HydrophobicContact CB-CD1 4.28Å; S70-L73 WeakPolarHBondContact O-CB 3.3Å; S70-L73 PolarHBondContact O-N 3.26Å; A71-L73 PolarHBondContact O-N 2.92Å; A71-L73 VanDerWaalsContact O-N 3.16Å; L73-K113 HydrophobicContact CD1-CG 4.05Å; L73-K113 HydrophobicContact CD2-CB 4.48Å; L73-K113 HydrophobicContact CD2-CG 4.07Å
74	L	87	Confident	83	Confident	12 Å²	12	82.1 Å²	82.1	6%	0.063	41%	0.413	C	S	.	.			trans	-81.8	133.7	174.2	-60.8	171.4	0	0	0	109	A52 F56 W59 V68 A71 S72 L109 V110 A111	A52-L74 HydrophobicContact CB-CB 3.86Å; A52-L74 HydrophobicContact CB-CD1 4.07Å; A52-L74 VanDerWaalsContact O-CD1 3.29Å; A52-L74 WeakPolarHBondContact O-CD1 3.27Å; F56-L74 HydrophobicContact CB-CD1 4.22Å; W59-L74 HydrophobicContact CH2-CD2 4.02Å; W59-L74 HydrophobicContact CZ3-CD1 3.99Å; W59-L74 HydrophobicContact CZ3-CD2 3.98Å; V68-L74 HydrophobicContact CG1-CD2 3.97Å; V68-L74 HydrophobicContact CG2-CD1 4.29Å; V68-L74 HydrophobicContact CG2-CD2 3.72Å; V68-L74 HydrophobicContact CG2-CG 3.78Å; A71-L74 VanDerWaalsContact O-CB 3.29Å; A71-L74 WeakPolarHBondContact O-CB 3.31Å; A71-L74 PolarHBondContact O-N 3.47Å; S72-L74 VanDerWaalsContact C-N 3.32Å; L74-L109 HydrophobicContact CB-CD1 3.95Å; L74-L109 HydrophobicContact CD1-CD1 4.45Å; L74-L109 HydrophobicContact CD2-CD1 4.23Å; L74-L109 HydrophobicContact CD2-CD2 4.42Å; L74-L109 HydrophobicContact CD2-CG 4.27Å; L74-L109 HydrophobicContact CG-CD1 4.43Å; L74-V110 WeakPolarHBondContact CA-O 3.49Å; L74-A111 HydrophobicContact CD2-CB 4.24Å
75	K	84.8	Confident	82.9	Confident	69 Å²	69	78 Å²	78	30%	0.3	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.5	175.9	-72.2	179	173	179.3	0	110	V110 L115	K75-V110 PolarHBondContact N-O 2.8Å; K75-V110 PolarHBondContact O-N 3.2Å; K75-L115 HydrophobicContact CD-CB 4.43Å; K75-L115 HydrophobicContact CD-CD1 3.34Å; K75-L115 HydrophobicContact CD-CD2 4.29Å; K75-L115 HydrophobicContact CD-CG 3.39Å
76	L	87.8	Confident	83	Confident	3 Å²	3	77.2 Å²	77.2	2%	0.016	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	138.5	174.7	-97.6	60.9	0	0	0	109.3	L30 A48 V51 L83 M107 H108 L109	L30-L76 HydrophobicContact CD2-CD1 4.41Å; A48-L76 HydrophobicContact CB-CB 4.43Å; A48-L76 HydrophobicContact CB-CD2 3.92Å; V51-L76 HydrophobicContact CB-CD2 4.15Å; V51-L76 HydrophobicContact CG1-CD2 3.97Å; L76-L83 HydrophobicContact CB-CB 3.99Å; L76-L83 HydrophobicContact CB-CD1 4.24Å; L76-L83 HydrophobicContact CB-CG 4.48Å; L76-L83 PolarHBondContact O-N 2.72Å; L76-M107 HydrophobicContact CD2-SD 3.54Å; L76-M107 VanDerWaalsContact CD2-SD 3.54Å; L76-M107 HydrophobicContact CG-SD 4.16Å; L76-H108 CarbonylContact C-O 3.59Å; L76-H108 WeakPolarHBondContact CA-O 3.29Å; L76-L109 HydrophobicContact CD1-CD1 3.49Å; L76-L109 VanDerWaalsContact CD1-CD1 3.49Å
77	I	86.6	Confident	83.2	Confident	26 Å²	26	76.4 Å²	76.4	13%	0.133	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.4	171.3	-44.2	177.9	0	0	0	107.6	R81 F82 M107 H108 V110	I77-R81 CarbonylContact C-O 3.34Å; I77-R81 VanDerWaalsContact CA-O 3.31Å; I77-R81 WeakPolarHBondContact CA-O 3.43Å; I77-F82 HydrophobicContact CD1-CD1 3.85Å; I77-F82 HydrophobicContact CD1-CE1 3.28Å; I77-F82 HydrophobicContact CD1-CZ 4.02Å; I77-F82 HydrophobicContact CG1-CD1 3.56Å; I77-F82 HydrophobicContact CG1-CE1 3.57Å; I77-M107 CarbonylContact O-C 3.49Å; I77-M107 WeakPolarHBondContact O-CA 3.24Å; I77-H108 HydrophobicContact CB-CB 4.06Å; I77-H108 HydrophobicContact CD1-CB 4.49Å; I77-H108 HydrophobicContact CG1-CB 4.47Å; I77-H108 PolarHBondContact N-O 2.83Å; I77-H108 PolarHBondContact O-N 3.12Å; I77-V110 HydrophobicContact CD1-CG2 3.47Å; I77-V110 VanDerWaalsContact CD1-CG2 3.47Å; I77-V110 HydrophobicContact CG1-CG2 4.05Å
78	Y	85.5	Confident	83.5	Confident	43 Å²	43	71.6 Å²	71.6	17%	0.169	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	121.8	177.2	176.9	-109.3	0	0	0	109.4	G80 R81 V92 A96 L99 T105 V106 M107	Y78-G80 PolarHBondContact O-N 3.38Å; Y78-G80 VanDerWaalsContact O-N 3.12Å; Y78-R81 PolarHBondContact N-O 2.79Å; Y78-R81 WeakPolarHBondContact O-CA 3.37Å; Y78-R81 WeakPolarHBondContact O-CB 3.24Å; Y78-R81 PolarHBondContact O-N 2.8Å; Y78-V92 HydrophobicContact CD1-CG1 3.32Å; Y78-V92 HydrophobicContact CD2-CG1 4.28Å; Y78-V92 HydrophobicContact CE1-CG1 3.35Å; Y78-V92 HydrophobicContact CE2-CG1 4.33Å; Y78-V92 HydrophobicContact CG-CG1 3.79Å; Y78-A96 HydrophobicContact CE1-CB 4.28Å; Y78-L99 WeakPolarHBondContact OH-CD1 3.14Å; Y78-T105 HydrophobicContact CD2-CG2 3.92Å; Y78-T105 HydrophobicContact CE2-CG2 3.4Å; Y78-T105 VanDerWaalsContact CE2-CG2 3.4Å; Y78-V106 VanDerWaalsContact CD2-O 3.27Å; Y78-V106 WeakPolarHBondContact CD2-O 3.29Å; Y78-M107 HydrophobicContact CD2-CE 4.05Å; Y78-M107 HydrophobicContact CD2-CG 3.84Å; Y78-M107 HydrophobicContact CG-CE 4.2Å; Y78-M107 HydrophobicContact CG-CG 4.46Å
79	H	81	Confident	83.6	Confident	174 Å²	174	71 Å²	71	81%	0.806	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	39.9	178.6	-153	-134.2	0	0	0	113.8	R81	H79-R81 VanDerWaalsContact C-N 3.33Å; H79-R81 PolarHBondContact O-N 2.8Å
80	G	78.6	Confident	83.5	Confident	67 Å²	67	64.8 Å²	64.8	69%	0.691	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	5.3	-177.6	0	0	0	0	0	115.5	Y78	Y78-G80 PolarHBondContact O-N 3.38Å; Y78-G80 VanDerWaalsContact O-N 3.12Å
81	R	80.3	Confident	83.4	Confident	195 Å²	195	66 Å²	66	74%	0.736	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.2	175.6	-62	-166.9	163.5	-168.3	-4.2	110.8	I77 Y78 H79 L83	I77-R81 CarbonylContact C-O 3.34Å; I77-R81 VanDerWaalsContact CA-O 3.31Å; I77-R81 WeakPolarHBondContact CA-O 3.43Å; Y78-R81 PolarHBondContact N-O 2.79Å; Y78-R81 WeakPolarHBondContact O-CA 3.37Å; Y78-R81 WeakPolarHBondContact O-CB 3.24Å; Y78-R81 PolarHBondContact O-N 2.8Å; H79-R81 VanDerWaalsContact C-N 3.33Å; H79-R81 PolarHBondContact O-N 2.8Å; R81-L83 VanDerWaalsContact O-CD1 3.3Å; R81-L83 WeakPolarHBondContact O-CD1 3.38Å; R81-L83 PolarHBondContact O-N 2.76Å
82	F	81.7	Confident	83	Confident	103 Å²	103	65.6 Å²	65.6	45%	0.452	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	123.9	171.7	-63.1	-81.6	0	0	0	109.4	I77 L115	I77-F82 HydrophobicContact CD1-CD1 3.85Å; I77-F82 HydrophobicContact CD1-CE1 3.28Å; I77-F82 HydrophobicContact CD1-CZ 4.02Å; I77-F82 HydrophobicContact CG1-CD1 3.56Å; I77-F82 HydrophobicContact CG1-CE1 3.57Å; F82-L115 HydrophobicContact CB-CD1 4.28Å; F82-L115 HydrophobicContact CD1-CD1 3.25Å; F82-L115 HydrophobicContact CD1-CD2 3.73Å; F82-L115 HydrophobicContact CD1-CG 4.13Å; F82-L115 HydrophobicContact CD2-CD1 4.44Å; F82-L115 HydrophobicContact CE1-CD1 3.59Å; F82-L115 HydrophobicContact CE1-CD2 3.15Å; F82-L115 HydrophobicContact CE1-CG 4Å; F82-L115 HydrophobicContact CG-CD1 3.74Å; F82-L115 HydrophobicContact CZ-CD1 4.31Å; F82-L115 HydrophobicContact CZ-CD2 3.83Å
83	L	83.4	Confident	82.7	Confident	19 Å²	19	62.4 Å²	62.4	10%	0.099	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133	171.9	-69.2	77.8	0	0	0	108	A48 L76 R81 V87 V92 M107	A48-L83 HydrophobicContact CB-CB 4.12Å; A48-L83 HydrophobicContact CB-CD2 4.41Å; L76-L83 HydrophobicContact CB-CB 3.99Å; L76-L83 HydrophobicContact CB-CD1 4.24Å; L76-L83 HydrophobicContact CB-CG 4.48Å; L76-L83 PolarHBondContact O-N 2.72Å; R81-L83 VanDerWaalsContact O-CD1 3.3Å; R81-L83 WeakPolarHBondContact O-CD1 3.38Å; R81-L83 PolarHBondContact O-N 2.76Å; L83-V87 HydrophobicContact CB-CB 4.4Å; L83-V87 HydrophobicContact CD2-CB 4.49Å; L83-V87 HydrophobicContact CD2-CG1 4.08Å; L83-V87 HydrophobicContact CG-CG1 4.43Å; L83-V92 HydrophobicContact CD2-CG2 3.39Å; L83-V92 HydrophobicContact CG-CG2 4.4Å; L83-M107 HydrophobicContact CD2-CE 3.81Å; L83-M107 HydrophobicContact CD2-SD 4.29Å
84	H	82.4	Confident	82.2	Confident	142 Å²	142	67 Å²	67	66%	0.657	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-77.4	151.5	166.2	-165.2	-113.8	0	0	0	109.4	A48 N86 V87	A48-H84 WeakPolarHBondContact CB-O 3.22Å; H84-N86 PolarHBondContact O-N 3.16Å; H84-V87 HydrophobicContact CB-CG2 4.24Å; H84-V87 WeakPolarHBondContact O-CB 3.22Å; H84-V87 PolarHBondContact O-N 2.88Å
85	G	80	Confident	81.5	Confident	31 Å²	31	70.4 Å²	70.4	32%	0.32	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.2	178.7	0	0	0	0	0	114.2	S47 A49	S47-G85 WeakPolarHBondContact CB-O 3.46Å; S47-G85 PolarHBondContact OG-O 2.86Å; A49-G85 WeakPolarHBondContact CB-O 3.29Å; A49-G85 PolarHBondContact N-O 3Å
86	N	82.6	Confident	80.7	Confident	136 Å²	136	68.1 Å²	68.1	73%	0.727	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-16.6	177.2	-168.9	-97.1	0	0	0	114.3	H84	H84-N86 PolarHBondContact O-N 3.16Å
87	V	85.2	Confident	79.2	Confident	45 Å²	45	75.6 Å²	75.6	27%	0.273	41%	0.412	S	S	.	.			trans	-74	129.2	-177.1	177.8	0	0	0	0	109.9	S47 A48 L83 H84 V92	S47-V87 CarbonylContact C-O 3.53Å; S47-V87 WeakPolarHBondContact CA-O 3.47Å; A48-V87 PolarHBondContact N-O 3.36Å; L83-V87 HydrophobicContact CB-CB 4.4Å; L83-V87 HydrophobicContact CD2-CB 4.49Å; L83-V87 HydrophobicContact CD2-CG1 4.08Å; L83-V87 HydrophobicContact CG-CG1 4.43Å; H84-V87 HydrophobicContact CB-CG2 4.24Å; H84-V87 WeakPolarHBondContact O-CB 3.22Å; H84-V87 PolarHBondContact O-N 2.88Å; V87-V92 HydrophobicContact CG1-CG2 3.5Å
88	T	86.8	Confident	77.7	Confident	47 Å²	47	80.1 Å²	80.1	29%	0.288	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-90.1	148.4	176.6	58.8	0	0	0	0	112.9	Y46 G90 V91 V92	Y46-T88 WeakPolarHBondContact O-CA 3.16Å; T88-G90 PolarHBondContact O-N 3.44Å; T88-V91 PolarHBondContact O-N 3Å; T88-V91 VanDerWaalsContact OG1-CG2 3.24Å; T88-V91 WeakPolarHBondContact OG1-CG2 2.92Å; T88-V91 PolarHBondContact OG1-N 2.9Å; T88-V92 WeakPolarHBondContact O-CG2 3.35Å; T88-V92 PolarHBondContact O-N 3.16Å
89	L	84.2	Confident	76.2	Confident	4 Å²	4	81.1 Å²	81.1	2%	0.021	45%	0.449	C	S	.	.	H	α-helix	trans	-57.7	-37.7	175.7	-64.6	-176.2	0	0	0	111.1	I26 L28 F42 Y46 V51 V91 V92 L93 M107	I26-L89 HydrophobicContact CD1-CB 3.68Å; I26-L89 HydrophobicContact CD1-CD1 4.29Å; L28-L89 HydrophobicContact CD1-CD1 3.75Å; L28-L89 HydrophobicContact CD1-CD2 3.48Å; L28-L89 VanDerWaalsContact CD1-CD2 3.48Å; L28-L89 HydrophobicContact CD1-CG 4.27Å; F42-L89 HydrophobicContact CB-CD1 3.5Å; F42-L89 VanDerWaalsContact CB-CD1 3.5Å; F42-L89 HydrophobicContact CG-CD1 4.27Å; Y46-L89 WeakPolarHBondContact O-CG 3.42Å; Y46-L89 PolarHBondContact O-N 3.42Å; V51-L89 HydrophobicContact CG2-CD1 3.93Å; V51-L89 HydrophobicContact CG2-CD2 4.27Å; V51-L89 HydrophobicContact CG2-CG 4.23Å; L89-V91 PolarHBondContact O-N 2.99Å; L89-V92 PolarHBondContact O-N 3.02Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 2.78Å; L89-M107 HydrophobicContact CD2-CE 3.63Å; L89-M107 HydrophobicContact CD2-SD 4.16Å
90	G	81.5	Confident	74.9	Confident	16 Å²	16	76.4 Å²	76.4	17%	0.165	43%	0.433	C	S	.	.	H	α-helix	trans	-55.4	-47.1	171.6	0	0	0	0	0	112.7	S44 T88 V92 L93 L94	S44-G90 PolarHBondContact O-N 2.79Å; T88-G90 PolarHBondContact O-N 3.44Å; G90-V92 PolarHBondContact O-N 3.25Å; G90-L93 PolarHBondContact O-N 3.18Å; G90-L94 WeakPolarHBondContact O-CB 3.17Å; G90-L94 VanDerWaalsContact O-CG 3.24Å; G90-L94 WeakPolarHBondContact O-CG 3.19Å; G90-L94 PolarHBondContact O-N 2.75Å
91	V	81.5	Confident	74.1	Confident	81 Å²	81	80.3 Å²	80.3	49%	0.491	44%	0.438	S	S	.	.	H	α-helix	trans	-65.7	-39.1	176.8	170.8	0	0	0	0	111.6	T88 L89 L93 L94 S95	T88-V91 PolarHBondContact O-N 3Å; T88-V91 VanDerWaalsContact OG1-CG2 3.24Å; T88-V91 WeakPolarHBondContact OG1-CG2 2.92Å; T88-V91 PolarHBondContact OG1-N 2.9Å; L89-V91 PolarHBondContact O-N 2.99Å; V91-L93 VanDerWaalsContact C-N 3.33Å; V91-L93 PolarHBondContact O-N 3.07Å; V91-L94 PolarHBondContact O-N 2.79Å; V91-S95 WeakPolarHBondContact O-CB 3.36Å; V91-S95 PolarHBondContact O-N 2.68Å
92	V	76.2	Confident	73.3	Confident	10 Å²	10	74 Å²	74	6%	0.061	43%	0.434	C	S	.	.	H	α-helix	trans	-62	-44.4	177.4	179.3	0	0	0	0	110.7	Y78 L83 V87 T88 L89 G90 S95 A96 M107	Y78-V92 HydrophobicContact CD1-CG1 3.32Å; Y78-V92 HydrophobicContact CD2-CG1 4.28Å; Y78-V92 HydrophobicContact CE1-CG1 3.35Å; Y78-V92 HydrophobicContact CE2-CG1 4.33Å; Y78-V92 HydrophobicContact CG-CG1 3.79Å; L83-V92 HydrophobicContact CD2-CG2 3.39Å; L83-V92 HydrophobicContact CG-CG2 4.4Å; V87-V92 HydrophobicContact CG1-CG2 3.5Å; T88-V92 WeakPolarHBondContact O-CG2 3.35Å; T88-V92 PolarHBondContact O-N 3.16Å; L89-V92 PolarHBondContact O-N 3.02Å; G90-V92 PolarHBondContact O-N 3.25Å; V92-S95 PolarHBondContact O-N 2.9Å; V92-A96 VanDerWaalsContact O-CB 3.29Å; V92-A96 WeakPolarHBondContact O-CB 3.37Å; V92-A96 PolarHBondContact O-N 3.27Å; V92-M107 HydrophobicContact CB-CE 4.32Å; V92-M107 HydrophobicContact CG1-CE 3.81Å; V92-M107 HydrophobicContact CG2-CE 4.21Å
93	L	75	Confident	72.7	Confident	45 Å²	45	75 Å²	75	24%	0.236	44%	0.438	C	S	.	.	H	α-helix	trans	-68.2	-44.8	177.8	-70.2	-166.4	0	0	0	112.6	I26 L89 G90 V91 S95 A96 L99 T105	I26-L93 HydrophobicContact CB-CD1 4.46Å; I26-L93 HydrophobicContact CD1-CD1 3.22Å; I26-L93 HydrophobicContact CD1-CG 3.92Å; I26-L93 HydrophobicContact CG1-CD1 3.54Å; I26-L93 HydrophobicContact CG2-CD1 4.1Å; I26-L93 HydrophobicContact CG2-CD2 4.48Å; L89-L93 WeakPolarHBondContact O-CG 3.29Å; L89-L93 PolarHBondContact O-N 2.78Å; G90-L93 PolarHBondContact O-N 3.18Å; V91-L93 VanDerWaalsContact C-N 3.33Å; V91-L93 PolarHBondContact O-N 3.07Å; L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.47Å; L93-A96 CarbonylContact O-C 3.49Å; L93-A96 PolarHBondContact O-N 2.91Å; L93-L99 HydrophobicContact CD2-CD1 3.88Å; L93-T105 WeakPolarHBondContact CD2-OG1 3.46Å
94	L	74.9	Confident	72.5	Confident	140 Å²	140	77.7 Å²	77.7	73%	0.733	46%	0.455	S	S	*	.	H	α-helix	trans	-62.7	-38.5	175.8	-71.2	175	0	0	0	111.5	G90 V91	G90-L94 WeakPolarHBondContact O-CB 3.17Å; G90-L94 VanDerWaalsContact O-CG 3.24Å; G90-L94 WeakPolarHBondContact O-CG 3.19Å; G90-L94 PolarHBondContact O-N 2.75Å; V91-L94 PolarHBondContact O-N 2.79Å
95	S	71.6	Confident	72.5	Confident	83 Å²	83	71.1 Å²	71.1	58%	0.58	43%	0.425	S	S	*	.	H	α-helix	trans	-73.3	-33	178.4	-169	0	0	0	0	112.3	V91 V92 L93 L97	V91-S95 WeakPolarHBondContact O-CB 3.36Å; V91-S95 PolarHBondContact O-N 2.68Å; V92-S95 PolarHBondContact O-N 2.9Å; L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 3.47Å; S95-L97 PolarHBondContact O-N 2.72Å
96	A	67.8	Low	72.9	Confident	21 Å²	21	72.5 Å²	72.5	17%	0.174	43%	0.427	C	S	.	.	S	Bend	trans	-71.3	70.7	163.5	0	0	0	0	0	108.2	Y78 V92 L93 T98 L99	Y78-A96 HydrophobicContact CE1-CB 4.28Å; V92-A96 VanDerWaalsContact O-CB 3.29Å; V92-A96 WeakPolarHBondContact O-CB 3.37Å; V92-A96 PolarHBondContact O-N 3.27Å; L93-A96 CarbonylContact O-C 3.49Å; L93-A96 PolarHBondContact O-N 2.91Å; A96-T98 PolarHBondContact O-N 2.57Å; A96-L99 HydrophobicContact CB-CD1 3.85Å; A96-L99 HydrophobicContact CB-CG 4.2Å; A96-L99 PolarHBondContact O-N 3.48Å; A96-L99 VanDerWaalsContact O-N 3.11Å
97	L	57.5	Low	73.2	Confident	159 Å²	159	66 Å²	66	83%	0.832	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.9	2.6	-172.1	-131.7	80.5	0	0	0	116.4	S95	S95-L97 PolarHBondContact O-N 2.72Å
98	T	55.1	Low	73.4	Confident	122 Å²	122	67.7 Å²	67.7	75%	0.748	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.5	1.1	-168.4	75.8	0	0	0	0	114.7	A96 P100	A96-T98 PolarHBondContact O-N 2.57Å; T98-P100 VanDerWaalsContact O-CD 3.24Å; T98-P100 WeakPolarHBondContact O-CD 3.37Å
99	L	52.6	Low	73.5	Confident	63 Å²	63	65.5 Å²	65.5	33%	0.33	38%	0.383	S	S	.	.			trans	-86.4	116.2	-179.5	-73.6	175.6	0	0	0	111.6	Y78 L93 A96 L101 K103	Y78-L99 WeakPolarHBondContact OH-CD1 3.14Å; L93-L99 HydrophobicContact CD2-CD1 3.88Å; A96-L99 HydrophobicContact CB-CD1 3.85Å; A96-L99 HydrophobicContact CB-CG 4.2Å; A96-L99 PolarHBondContact O-N 3.48Å; A96-L99 VanDerWaalsContact O-N 3.11Å; L99-L101 PolarHBondContact O-N 2.77Å; L99-K103 HydrophobicContact CD2-CB 4.25Å; L99-K103 HydrophobicContact CD2-CG 4.49Å
100	P	55	Low	73.6	Confident	75 Å²	75	65.9 Å²	65.9	49%	0.487	39%	0.386	S	S	.	.			trans	-63.1	131.1	165.4	25	-29.7	0	0	0	108.8	T98 G102 K103	T98-P100 VanDerWaalsContact O-CD 3.24Å; T98-P100 WeakPolarHBondContact O-CD 3.37Å; P100-G102 PolarHBondContact O-N 2.87Å; P100-K103 HydrophobicContact CG-CG 3.88Å; P100-K103 WeakPolarHBondContact O-CG 3.25Å; P100-K103 PolarHBondContact O-N 2.89Å
101	L	60.1	Low	73.5	Confident	150 Å²	150	66.1 Å²	66.1	79%	0.785	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-40.1	125.3	169.6	44	139.3	0	0	0	110.9	L99	L99-L101 PolarHBondContact O-N 2.77Å
102	G	63.4	Low	72.8	Confident	63 Å²	63	70.6 Å²	70.6	65%	0.649	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	105	0.3	-179.7	0	0	0	0	0	116.6	P100	P100-G102 PolarHBondContact O-N 2.87Å
103	K	70.1	Confident	72.1	Confident	123 Å²	123	77.1 Å²	77.1	54%	0.535	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-78.8	147.9	173.3	-69.5	-69.7	-173	177.6	0	112.9	L99 P100 T105	L99-K103 HydrophobicContact CD2-CB 4.25Å; L99-K103 HydrophobicContact CD2-CG 4.49Å; P100-K103 HydrophobicContact CG-CG 3.88Å; P100-K103 WeakPolarHBondContact O-CG 3.25Å; P100-K103 PolarHBondContact O-N 2.89Å; K103-T105 PolarHBondContact O-N 2.79Å
104	T	78.9	Confident	70.9	Confident	75 Å²	75	78.8 Å²	78.8	46%	0.46	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-70.1	117.7	171.9	-51.5	0	0	0	0	110.5	N27 R29	N27-T104 HydrophobicContact CB-CG2 4.19Å; N27-T104 CarbonylContact O-C 3.51Å; N27-T104 VanDerWaalsContact O-CA 3.24Å; N27-T104 WeakPolarHBondContact O-CA 3.24Å; R29-T104 HydrophobicContact CB-CG2 3.89Å
105	T	83.2	Confident	69.9	Low	4 Å²	4	73.2 Å²	73.2	3%	0.025	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117	178.5	-61.2	0	0	0	0	109.4	I26 N27 L28 R29 Y78 L93 K103 M107	I26-T105 WeakPolarHBondContact CG2-OG1 3.46Å; N27-T105 PolarHBondContact O-N 2.78Å; L28-T105 CarbonylContact C-O 3.51Å; L28-T105 VanDerWaalsContact CA-O 3.29Å; L28-T105 WeakPolarHBondContact CA-O 3.23Å; R29-T105 PolarHBondContact N-O 2.91Å; Y78-T105 HydrophobicContact CD2-CG2 3.92Å; Y78-T105 HydrophobicContact CE2-CG2 3.4Å; Y78-T105 VanDerWaalsContact CE2-CG2 3.4Å; L93-T105 WeakPolarHBondContact CD2-OG1 3.46Å; K103-T105 PolarHBondContact O-N 2.79Å; T105-M107 HydrophobicContact CG2-CE 3.95Å; T105-M107 HydrophobicContact CG2-CG 4.19Å
106	V	87.3	Confident	68.9	Low	61 Å²	61	74.2 Å²	74.2	37%	0.37	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120.4	177.2	-179.2	0	0	0	0	109.7	R29 I31 Y78	R29-V106 HydrophobicContact CB-CG2 4.31Å; R29-V106 CarbonylContact O-C 3.45Å; R29-V106 WeakPolarHBondContact O-CA 3.01Å; I31-V106 HydrophobicContact CD1-CG1 3.37Å; I31-V106 HydrophobicContact CG1-CG1 3.88Å; Y78-V106 VanDerWaalsContact CD2-O 3.27Å; Y78-V106 WeakPolarHBondContact CD2-O 3.29Å
107	M	89.4	Confident	68.3	Low	0 Å²	0	80.9 Å²	80.9	0%	0	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.2	172.9	-65.5	-168.4	169.7	0	0	109.7	L28 R29 L30 I31 L76 I77 Y78 L83 L89 V92 T105	L28-M107 HydrophobicContact CD1-CE 4.34Å; L28-M107 HydrophobicContact CD1-SD 3.8Å; L28-M107 HydrophobicContact CD2-CB 3.9Å; L28-M107 HydrophobicContact CD2-CG 3.96Å; L28-M107 HydrophobicContact CD2-SD 4.09Å; L28-M107 HydrophobicContact CG-CG 4.29Å; L28-M107 HydrophobicContact CG-SD 4.2Å; R29-M107 PolarHBondContact O-N 2.82Å; L30-M107 CarbonylContact C-O 3.44Å; L30-M107 VanDerWaalsContact CA-O 3.25Å; L30-M107 WeakPolarHBondContact CA-O 3.47Å; I31-M107 PolarHBondContact N-O 2.97Å; L76-M107 HydrophobicContact CD2-SD 3.54Å; L76-M107 VanDerWaalsContact CD2-SD 3.54Å; L76-M107 HydrophobicContact CG-SD 4.16Å; I77-M107 CarbonylContact O-C 3.49Å; I77-M107 WeakPolarHBondContact O-CA 3.24Å; Y78-M107 HydrophobicContact CD2-CE 4.05Å; Y78-M107 HydrophobicContact CD2-CG 3.84Å; Y78-M107 HydrophobicContact CG-CE 4.2Å; Y78-M107 HydrophobicContact CG-CG 4.46Å; L83-M107 HydrophobicContact CD2-CE 3.81Å; L83-M107 HydrophobicContact CD2-SD 4.29Å; L89-M107 HydrophobicContact CD2-CE 3.63Å; L89-M107 HydrophobicContact CD2-SD 4.16Å; V92-M107 HydrophobicContact CB-CE 4.32Å; V92-M107 HydrophobicContact CG1-CE 3.81Å; V92-M107 HydrophobicContact CG2-CE 4.21Å; T105-M107 HydrophobicContact CG2-CE 3.95Å; T105-M107 HydrophobicContact CG2-CG 4.19Å
108	H	89	Confident	67.9	Low	80 Å²	80	78 Å²	78	37%	0.37	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	134.1	170.2	-55.3	55.3	0	0	0	109.3	I31 L76 I77	I31-H108 CarbonylContact O-C 3.53Å; I31-H108 WeakPolarHBondContact O-CA 3.37Å; L76-H108 CarbonylContact C-O 3.59Å; L76-H108 WeakPolarHBondContact CA-O 3.29Å; I77-H108 HydrophobicContact CB-CB 4.06Å; I77-H108 HydrophobicContact CD1-CB 4.49Å; I77-H108 HydrophobicContact CG1-CB 4.47Å; I77-H108 PolarHBondContact N-O 2.83Å; I77-H108 PolarHBondContact O-N 3.12Å
109	L	89.1	Confident	67.5	Low	0 Å²	0	77.5 Å²	77.5	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	126.5	173.4	-172.4	66.9	0	0	0	108.4	L30 I31 L32 V33 V55 W59 W63 L74 L76	L30-L109 HydrophobicContact CD2-CB 3.93Å; L30-L109 HydrophobicContact CD2-CD1 4.05Å; L30-L109 HydrophobicContact CD2-CD2 4.18Å; L30-L109 HydrophobicContact CD2-CG 4.29Å; I31-L109 PolarHBondContact O-N 2.9Å; L32-L109 WeakPolarHBondContact CA-O 3.38Å; L32-L109 HydrophobicContact CD1-CB 4.12Å; L32-L109 HydrophobicContact CD1-CD2 4.01Å; L32-L109 HydrophobicContact CD1-CG 4.15Å; V33-L109 PolarHBondContact N-O 3.48Å; V55-L109 HydrophobicContact CG1-CD2 3.68Å; W59-L109 HydrophobicContact CZ3-CD2 4.38Å; W63-L109 HydrophobicContact CE3-CD2 4.47Å; W63-L109 HydrophobicContact CZ3-CD2 3.98Å; L74-L109 HydrophobicContact CB-CD1 3.95Å; L74-L109 HydrophobicContact CD1-CD1 4.45Å; L74-L109 HydrophobicContact CD2-CD1 4.23Å; L74-L109 HydrophobicContact CD2-CD2 4.42Å; L74-L109 HydrophobicContact CD2-CG 4.27Å; L74-L109 HydrophobicContact CG-CD1 4.43Å; L76-L109 HydrophobicContact CD1-CD1 3.49Å; L76-L109 VanDerWaalsContact CD1-CD1 3.49Å
110	V	86.1	Confident	67.4	Low	13 Å²	13	79.8 Å²	79.8	8%	0.079	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.2	178.3	-171.6	0	0	0	0	110.3	V33 L74 K75 I77 R112	V33-V110 HydrophobicContact CG1-CB 4Å; V33-V110 HydrophobicContact CG1-CG1 3.7Å; V33-V110 HydrophobicContact CG1-CG2 3.52Å; L74-V110 WeakPolarHBondContact CA-O 3.49Å; K75-V110 PolarHBondContact N-O 2.8Å; K75-V110 PolarHBondContact O-N 3.2Å; I77-V110 HydrophobicContact CD1-CG2 3.47Å; I77-V110 VanDerWaalsContact CD1-CG2 3.47Å; I77-V110 HydrophobicContact CG1-CG2 4.05Å; V110-R112 HydrophobicContact CG1-CB 4.01Å; V110-R112 HydrophobicContact CG1-CG 3.77Å; V110-R112 PolarHBondContact O-N 2.68Å
111	A	79.2	Confident	67.2	Low	21 Å²	21	84.4 Å²	84.4	17%	0.174	47%	0.469	C	S	.	.			trans	-93	24.2	-175.6	0	0	0	0	0	114.6	V68 L74	V68-A111 HydrophobicContact CG1-CB 3.37Å; L74-A111 HydrophobicContact CD2-CB 4.24Å
112	R	68.4	Low	66.6	Low	175 Å²	175	80.1 Å²	80.1	66%	0.66	46%	0.462	S	S	*	.			trans	-95.1	119.8	-170.8	-68.2	-91.2	-77.9	-165.6	-6.4	111.3	V110 S114	V110-R112 HydrophobicContact CG1-CB 4.01Å; V110-R112 HydrophobicContact CG1-CG 3.77Å; V110-R112 PolarHBondContact O-N 2.68Å; R112-S114 PolarHBondContact O-N 2.82Å
113	K	60.6	Low	65.9	Low	146 Å²	146	84.1 Å²	84.1	64%	0.635	46%	0.461	S	S	*	.	S	Bend	trans	-48.3	-27.6	172.1	-68.7	-172.9	176.9	-178.5	0	113.6	Q69 L73	Q69-K113 VanDerWaalsContact NE2-NZ 3.16Å; L73-K113 HydrophobicContact CD1-CG 4.05Å; L73-K113 HydrophobicContact CD2-CB 4.48Å; L73-K113 HydrophobicContact CD2-CG 4.07Å
114	S	49.4	Very low	64.9	Low	80 Å²	80	88.7 Å²	88.7	56%	0.559	48%	0.475	S	S	*	.			trans	-130.7	113.8	174.6	-172.7	0	0	0	0	107.6	R112	R112-S114 PolarHBondContact O-N 2.82Å
115	L	53.7	Low	63.7	Low	23 Å²	23	90.1 Å²	90.1	12%	0.12	48%	0.48	C	S	.	.			trans	-65.6	147.8	149.7	-78.6	174.7	0	0	0	105.1	K75 F82 E117	K75-L115 HydrophobicContact CD-CB 4.43Å; K75-L115 HydrophobicContact CD-CD1 3.34Å; K75-L115 HydrophobicContact CD-CD2 4.29Å; K75-L115 HydrophobicContact CD-CG 3.39Å; F82-L115 HydrophobicContact CB-CD1 4.28Å; F82-L115 HydrophobicContact CD1-CD1 3.25Å; F82-L115 HydrophobicContact CD1-CD2 3.73Å; F82-L115 HydrophobicContact CD1-CG 4.13Å; F82-L115 HydrophobicContact CD2-CD1 4.44Å; F82-L115 HydrophobicContact CE1-CD1 3.59Å; F82-L115 HydrophobicContact CE1-CD2 3.15Å; F82-L115 HydrophobicContact CE1-CG 4Å; F82-L115 HydrophobicContact CG-CD1 3.74Å; F82-L115 HydrophobicContact CZ-CD1 4.31Å; F82-L115 HydrophobicContact CZ-CD2 3.83Å; L115-E117 VanDerWaalsContact C-N 3.31Å; L115-E117 PolarHBondContact O-N 3.46Å
116	P	51.6	Low	62.4	Low	104 Å²	104	100.4 Å²	100.4	68%	0.675	52%	0.518	S	S	*	.			trans	-51.2	113	153.3	26.1	-30.6	0	0	0	105
117	E	53.7	Low	60.6	Low	162 Å²	162	102.8 Å²	102.8	76%	0.757	54%	0.536	S	S	*	.			trans	-46.6	124.7	166.6	-65.3	-172.6	81.5	0	0	104.3	L115 S119	L115-E117 VanDerWaalsContact C-N 3.31Å; L115-E117 PolarHBondContact O-N 3.46Å; E117-S119 WeakPolarHBondContact O-CA 3.44Å; E117-S119 PolarHBondContact O-N 2.86Å
118	P	49.6	Very low	59.1	Low	98 Å²	98	112.4 Å²	112.4	64%	0.636	57%	0.572	S	S	*	*			trans	-57.9	103.9	177.1	23.8	-31.2	0	0	0	103.9	S120	P118-S120 PolarHBondContact O-N 3.09Å; P118-S120 PolarHBondContact O-OG 2.77Å
119	S	47.9	Very low	57.3	Low	112 Å²	112	118.8 Å²	118.8	78%	0.783	60%	0.599	S	S	*	*			trans	-47.4	91.6	-158.9	-65	0	0	0	0	109.5	E117 Q121	E117-S119 WeakPolarHBondContact O-CA 3.44Å; E117-S119 PolarHBondContact O-N 2.86Å; S119-Q121 PolarHBondContact O-N 3.04Å
120	S	49.3	Very low	55.5	Low	111 Å²	111	124.7 Å²	124.7	78%	0.776	63%	0.631	S	S	*	*			trans	-93.1	29.7	176	-65.5	0	0	0	0	107.4	P118 G122	P118-S120 PolarHBondContact O-N 3.09Å; P118-S120 PolarHBondContact O-OG 2.77Å; S120-G122 PolarHBondContact O-N 3.39Å
121	Q	51.3	Low	54.2	Low	171 Å²	171	129 Å²	129	80%	0.799	66%	0.662	S	S	*	*			trans	-90.6	38.5	152.5	-143.7	168	-57.3	0	0	110.1	S119 K123	S119-Q121 PolarHBondContact O-N 3.04Å; Q121-K123 HydrophobicContact CG-CB 4.18Å; Q121-K123 PolarHBondContact O-N 3.2Å
122	G	47.6	Very low	52.9	Low	61 Å²	61	138 Å²	138	63%	0.629	70%	0.697	S	S	*	*			trans	-63.3	60.9	132.5	0	0	0	0	0	109.3	S120 R124	S120-G122 PolarHBondContact O-N 3.39Å; G122-R124 PolarHBondContact O-N 2.88Å
123	K	49	Very low	52.5	Low	147 Å²	147	140.4 Å²	140.4	64%	0.639	72%	0.721	S	S	*	*			trans	-65.5	85.9	157.5	-168.7	160.8	67.4	122.5	0	104.2	Q121 D125	Q121-K123 HydrophobicContact CG-CB 4.18Å; Q121-K123 PolarHBondContact O-N 3.2Å; K123-D125 WeakPolarHBondContact CD-OD2 3.11Å; K123-D125 WeakPolarHBondContact CE-OD2 3.24Å; K123-D125 WeakPolarHBondContact CG-OD2 3.29Å; K123-D125 IonicContact NZ-OD2 2.68Å; K123-D125 PolarHBondContact NZ-OD2 3.21Å; K123-D125 PolarHBondContact O-N 3.2Å
124	R	49.7	Very low	52.1	Low	218 Å²	218	140.2 Å²	140.2	82%	0.823	73%	0.725	S	S	*	*			trans	-63	77.2	156.3	-74	-178.1	177.9	146.2	-1.8	105	G122 R126	G122-R124 PolarHBondContact O-N 2.88Å; R124-R126 PolarHBondContact O-N 2.86Å
125	D	51.7	Low	52.3	Low	105 Å²	105	143.3 Å²	143.3	56%	0.561	73%	0.734	S	S	*	*			trans	-65.7	72.8	149	-87.7	-63.5	0	0	0	105.8	K123 C127	K123-D125 WeakPolarHBondContact CD-OD2 3.11Å; K123-D125 WeakPolarHBondContact CE-OD2 3.24Å; K123-D125 WeakPolarHBondContact CG-OD2 3.29Å; K123-D125 IonicContact NZ-OD2 2.68Å; K123-D125 PolarHBondContact NZ-OD2 3.21Å; K123-D125 PolarHBondContact O-N 3.2Å; D125-C127 PolarHBondContact O-N 3.16Å; D125-C127 VanDerWaalsContact O-N 3.07Å
126	R	56.3	Low	52.2	Low	220 Å²	220	150 Å²	150	83%	0.83	77%	0.768	S	S	*	*			trans	-74.7	61.8	148.3	-78.3	-158	-64.5	-169	-1.7	106.6	R124 R128	R124-R126 PolarHBondContact O-N 2.86Å; R126-R128 PolarHBondContact O-N 2.66Å
127	C	50.7	Low	52.2	Low	111 Å²	111	152.7 Å²	152.7	75%	0.75	77%	0.773	S	S	*	*			trans	-89.8	77.6	158.8	-149.6	0	0	0	0	107.4	D125	D125-C127 PolarHBondContact O-N 3.16Å; D125-C127 VanDerWaalsContact O-N 3.07Å
128	R	57.7	Low	52.1	Low	202 Å²	202	152.1 Å²	152.1	76%	0.762	77%	0.774	S	S	*	*			trans	34	103.3	141	-162.8	171.5	-177.4	166.5	3.4	116.5	R126 N130	R126-R128 PolarHBondContact O-N 2.66Å; R128-N130 WeakPolarHBondContact CG-OD1 3.3Å; R128-N130 PolarHBondContact NE-OD1 3.34Å; R128-N130 VanDerWaalsContact NE-OD1 3.13Å; R128-N130 PolarHBondContact O-N 3.14Å
129	K	51.5	Low	52.3	Low	214 Å²	214	155.7 Å²	155.7	93%	0.93	78%	0.784	S	S	*	*			trans	-49.7	105.1	154.2	-90.2	170.9	170.6	163.7	0	109.5
130	N	51.5	Low	52.6	Low	125 Å²	125	158.9 Å²	158.9	67%	0.668	78%	0.784	S	S	*	*			trans	-144.1	89.4	160.4	-97.1	99.9	0	0	0	107.6	R128	R128-N130 WeakPolarHBondContact CG-OD1 3.3Å; R128-N130 PolarHBondContact NE-OD1 3.34Å; R128-N130 VanDerWaalsContact NE-OD1 3.13Å; R128-N130 PolarHBondContact O-N 3.14Å
131	S	56.9	Low	52.9	Low	104 Å²	104	162.5 Å²	162.5	73%	0.727	78%	0.784	S	S	*	*			trans	-153.1	75.3	147.7	-156.2	0	0	0	0	107.5
132	F	53.1	Low	53	Low	210 Å²	210	161.8 Å²	161.8	92%	0.921	78%	0.783	S	S	*	*			trans	-90.9	94.8	147.9	-85.3	-92.1	0	0	0	104.8
133	I	60.7	Low	53.5	Low	225 Å²	225	171 Å²	171	100%	1.154	80%	0.797	S	S	*	*			trans	-140	0	144.6	-63	97	0	0	0	104.9

Retrieved 133 of 133 residues in 222 ms (Link to these results)

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