A0A077Z0K8_TRITR Loading...

Signal peptidase complex subunit 2

Component of the signal peptidase complex (SPC) which catalyzes the cleavage of N-terminal signal sequences from nascent proteins as they are translocated into the lumen of the endoplasmic reticulum. Enhances the enzymatic activity of SPC and facilitates the interactions between different components of the translocation site.

AlphaFold DB , UniProt , Accession A0A077Z0K8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 195 aa.

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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	39.1	Very low	34.5	Very low	239 Å²	239	158.4 Å²	158.4	100%	1.177	85%	0.848	S	S	*	*				0	100.8	0	-66.5	173.2	166	0	0	108	A3	M1-A3 PolarHBondContact O-N 2.95Å
2	P	34.8	Very low	34.2	Very low	135 Å²	135	159.8 Å²	159.8	88%	0.877	85%	0.845	S	S	*	*			trans	-79	124.9	-178.8	29.6	-29.3	0	0	0	110.4	K4	P2-K4 PolarHBondContact O-N 3.12Å
3	A	37.8	Very low	34.5	Very low	92 Å²	92	159.9 Å²	159.9	76%	0.76	85%	0.847	S	S	*	*			trans	-59.1	124.3	178.5	0	0	0	0	0	110.9	M1 K5	M1-A3 PolarHBondContact O-N 2.95Å; A3-K5 VanDerWaalsContact C-N 3.29Å; A3-K5 PolarHBondContact O-N 3.5Å
4	K	36.6	Very low	34.7	Very low	213 Å²	213	157.9 Å²	157.9	93%	0.926	84%	0.844	S	S	*	*			trans	-65.3	87.9	173.5	-152.7	177.1	-173.8	-178.2	0	108.1	P2 G6	P2-K4 PolarHBondContact O-N 3.12Å; K4-G6 PolarHBondContact O-N 3.38Å
5	K	32.1	Very low	35.1	Very low	199 Å²	199	155.5 Å²	155.5	87%	0.865	83%	0.832	S	S	*	*			trans	-63.3	101.8	165.2	-94	-178.6	173.9	178.6	0	106.8	A3 H7	A3-K5 VanDerWaalsContact C-N 3.29Å; A3-K5 PolarHBondContact O-N 3.5Å; K5-H7 PolarHBondContact O-N 3.21Å; K5-H7 VanDerWaalsContact O-N 3.12Å
6	G	34	Very low	35.5	Very low	70 Å²	70	155.8 Å²	155.8	72%	0.722	82%	0.823	S	S	*	*			trans	-53.6	116.1	168.6	0	0	0	0	0	108.5	K4 T8	K4-G6 PolarHBondContact O-N 3.38Å; G6-T8 PolarHBondContact O-N 2.93Å
7	H	34.1	Very low	36.5	Very low	178 Å²	178	148.9 Å²	148.9	82%	0.824	79%	0.791	S	S	*	*			trans	-64.5	125.5	176.9	-169.5	72.1	0	0	0	108.4	K5 E9	K5-H7 PolarHBondContact O-N 3.21Å; K5-H7 VanDerWaalsContact O-N 3.12Å; H7-E9 PolarHBondContact O-N 2.68Å; H7-E9 VanDerWaalsContact O-N 3.15Å
8	T	33.7	Very low	37.3	Very low	114 Å²	114	145.9 Å²	145.9	70%	0.699	77%	0.774	S	S	*	*			trans	-56.1	101.9	171.7	-37.9	0	0	0	0	109.6	G6	G6-T8 PolarHBondContact O-N 2.93Å
9	E	34	Very low	38.4	Very low	183 Å²	183	140.6 Å²	140.6	86%	0.855	75%	0.745	S	S	*	*			trans	-89.2	106.2	164.4	-154.1	168	130.9	0	0	107.9	H7 T11	H7-E9 PolarHBondContact O-N 2.68Å; H7-E9 VanDerWaalsContact O-N 3.15Å; E9-T11 PolarHBondContact O-N 3.38Å
10	K	29.1	Very low	39.4	Very low	188 Å²	188	142 Å²	142	82%	0.817	74%	0.744	S	S	*	*			trans	-71.2	113.5	175.1	-77.5	172.4	169.3	-179.7	0	109.4
11	T	33.9	Very low	40.5	Very low	131 Å²	131	135.8 Å²	135.8	80%	0.804	71%	0.713	S	S	*	*			trans	-125.8	81	145.8	-53	0	0	0	0	105.3	E9	E9-T11 PolarHBondContact O-N 3.38Å
12	E	31.8	Very low	41.8	Very low	175 Å²	175	128.9 Å²	128.9	82%	0.818	68%	0.682	S	S	*	*				51.4	107.1	108.7	-100	-172.3	160.7	0	0	114.6	T14	E12-T14 PolarHBondContact O-N 3.25Å
13	N	37.3	Very low	43.4	Very low	162 Å²	162	128.4 Å²	128.4	87%	0.866	67%	0.666	S	S	*	*	S	Bend	trans	-35.9	113.1	167.7	-59.8	-81.8	0	0	0	113.6
14	T	38.2	Very low	44.9	Very low	132 Å²	132	134.2 Å²	134.2	81%	0.81	67%	0.668	S	S	*	*			trans	-177.6	48.7	134.2	-63.4	0	0	0	0	109.6	E12	E12-T14 PolarHBondContact O-N 3.25Å
15	D	40.7	Very low	46.9	Very low	122 Å²	122	126.9 Å²	126.9	65%	0.652	64%	0.639	S	S	*	*			trans	-130.3	32.7	169.5	-92.9	-43.6	0	0	0	110.3	S17 I18	D15-S17 VanDerWaalsContact C-N 3.27Å; D15-S17 PolarHBondContact O-N 3.13Å; D15-I18 WeakPolarHBondContact OD1-CD1 3.3Å; D15-I18 WeakPolarHBondContact OD1-CG1 3.42Å
16	K	41.6	Very low	49	Very low	160 Å²	160	119.8 Å²	119.8	70%	0.696	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	96.8	168.2	-156.8	-177.2	-171.8	-168.2	0	105.8	E43	K16-E43 VanDerWaalsContact NZ-CD 3.26Å; K16-E43 IonicContact NZ-OE1 2.75Å; K16-E43 PolarHBondContact NZ-OE1 3.33Å; K16-E43 IonicContact NZ-OE2 3.19Å; K16-E43 PolarHBondContact NZ-OE2 3.32Å
17	S	52	Low	51.3	Low	39 Å²	39	120.1 Å²	120.1	27%	0.273	60%	0.602	S	S	.	*	T	Hydrogen-bonded Turn	trans	103.5	13.1	169.1	90.6	0	0	0	0	120.4	D15 I19 T175	D15-S17 VanDerWaalsContact C-N 3.27Å; D15-S17 PolarHBondContact O-N 3.13Å; S17-I19 PolarHBondContact O-N 2.96Å; S17-T175 VanDerWaalsContact CB-CG2 3.46Å; S17-T175 VanDerWaalsContact OG-CG2 3.22Å; S17-T175 WeakPolarHBondContact OG-CG2 3.34Å; S17-T175 PolarHBondContact OG-OG1 3.43Å
18	I	50.4	Low	53.6	Low	94 Å²	94	113.9 Å²	113.9	48%	0.482	58%	0.579	S	S	.	*			trans	-83.2	72.7	171	-49.7	-163.8	0	0	0	109.8	D15 K20 H172	D15-I18 WeakPolarHBondContact OD1-CD1 3.3Å; D15-I18 WeakPolarHBondContact OD1-CG1 3.42Å; I18-K20 PolarHBondContact O-N 3.3Å; I18-H172 VanDerWaalsContact CG2-CE1 3.43Å; I18-H172 WeakPolarHBondContact CG2-CE1 3.45Å; I18-H172 WeakPolarHBondContact CG2-ND1 3.34Å
19	I	58.6	Low	55.9	Low	46 Å²	46	109 Å²	109	24%	0.236	55%	0.548	C	S	.	.			trans	-73.6	96.5	169.5	-52.4	175.9	0	0	0	106.9	S17 A21 A32 D35 A36	S17-I19 PolarHBondContact O-N 2.96Å; I19-A21 PolarHBondContact O-N 2.86Å; I19-A21 VanDerWaalsContact O-N 3.13Å; I19-A32 HydrophobicContact CB-CB 4.21Å; I19-A32 WeakPolarHBondContact CD1-O 3.41Å; I19-A32 HydrophobicContact CG2-CB 3.42Å; I19-A32 VanDerWaalsContact CG2-CB 3.42Å; I19-D35 HydrophobicContact CD1-CB 3.91Å; I19-A36 HydrophobicContact CD1-CB 4.37Å
20	K	59.3	Low	58.3	Low	168 Å²	168	101.5 Å²	101.5	73%	0.73	51%	0.513	S	S	*	.	B	Isolated β-bridge	trans	-75.9	94.7	174.9	-171.3	176.7	-177	172	0	108.9	I18	I18-K20 PolarHBondContact O-N 3.3Å
21	A	62.1	Low	61	Low	11 Å²	11	99.3 Å²	99.3	9%	0.091	50%	0.5	C	S	.	.			trans	-83.1	147.4	175.2	0	0	0	0	0	110.7	I19 K23 I29 A32 G171	I19-A21 PolarHBondContact O-N 2.86Å; I19-A21 VanDerWaalsContact O-N 3.13Å; A21-K23 PolarHBondContact O-N 3.18Å; A21-I29 HydrophobicContact CB-CG1 3.96Å; A21-A32 HydrophobicContact CB-CB 3.87Å; A21-G171 PolarHBondContact N-O 3.43Å; A21-G171 VanDerWaalsContact N-O 3.17Å
22	N	66.3	Low	63.4	Low	95 Å²	95	93.3 Å²	93.3	51%	0.508	46%	0.464	S	S	.	.			trans	-70.9	114.3	170.8	-170.9	-16.3	0	0	0	109.1	W24 D25	N22-W24 PolarHBondContact O-N 3.49Å; N22-W24 PolarHBondContact OD1-N 3.15Å; N22-D25 HydrophobicContact CB-CB 4.42Å; N22-D25 PolarHBondContact O-N 3.16Å
23	K	67.6	Low	66	Low	125 Å²	125	85 Å²	85	54%	0.543	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-23.9	-176.2	69.9	-175.8	-179.7	-172.4	0	114.8	A21	A21-K23 PolarHBondContact O-N 3.18Å
24	W	70	Confident	68.4	Low	213 Å²	213	77.6 Å²	77.6	81%	0.807	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-10.1	-177.4	-57.6	106.6	0	0	0	113.6	N22	N22-W24 PolarHBondContact O-N 3.49Å; N22-W24 PolarHBondContact OD1-N 3.15Å
25	D	78.2	Confident	70.6	Confident	59 Å²	59	75.1 Å²	75.1	32%	0.316	37%	0.367	S	S	.	.			trans	-108.3	101.3	179.1	-178.6	25.7	0	0	0	110.9	N22 V27 S28 I29	N22-D25 HydrophobicContact CB-CB 4.42Å; N22-D25 PolarHBondContact O-N 3.16Å; D25-V27 PolarHBondContact O-N 3.04Å; D25-V27 VanDerWaalsContact O-N 3.16Å; D25-V27 PolarHBondContact OD1-N 2.98Å; D25-S28 PolarHBondContact O-N 3.29Å; D25-S28 VanDerWaalsContact OD2-CB 3.23Å; D25-S28 WeakPolarHBondContact OD2-CB 3.45Å; D25-S28 PolarHBondContact OD2-N 3.05Å; D25-S28 VanDerWaalsContact OD2-N 3.08Å; D25-S28 PolarHBondContact OD2-OG 3.3Å; D25-I29 WeakPolarHBondContact O-CG1 3.46Å; D25-I29 PolarHBondContact O-N 2.95Å
26	S	76.6	Confident	72.8	Confident	51 Å²	51	69.5 Å²	69.5	36%	0.357	34%	0.337	S	S	.	.	H	α-helix	trans	-57.2	-30	178.1	-49.7	0	0	0	0	112.5	K30	S26-K30 WeakPolarHBondContact O-CB 3.42Å; S26-K30 PolarHBondContact O-N 3.29Å
27	V	81.3	Confident	75	Confident	77 Å²	77	61.9 Å²	61.9	47%	0.467	30%	0.304	S	S	.	.	H	α-helix	trans	-71.9	-47.7	179.9	177.1	0	0	0	0	110.5	D25 I29 K30 Y31	D25-V27 PolarHBondContact O-N 3.04Å; D25-V27 VanDerWaalsContact O-N 3.16Å; D25-V27 PolarHBondContact OD1-N 2.98Å; V27-I29 VanDerWaalsContact C-N 3.33Å; V27-I29 PolarHBondContact O-N 3.4Å; V27-K30 WeakPolarHBondContact O-CB 3.27Å; V27-K30 PolarHBondContact O-N 2.93Å; V27-Y31 HydrophobicContact CG1-CD2 3.8Å; V27-Y31 HydrophobicContact CG1-CE2 3.24Å; V27-Y31 WeakPolarHBondContact O-CD2 3.39Å; V27-Y31 PolarHBondContact O-N 3.12Å
28	S	82.9	Confident	76.5	Confident	47 Å²	47	63.6 Å²	63.6	33%	0.329	31%	0.305	S	S	.	.	H	α-helix	trans	-58.8	-42.1	173.9	-69.4	0	0	0	0	112.7	D25 Y31 A32	D25-S28 PolarHBondContact O-N 3.29Å; D25-S28 VanDerWaalsContact OD2-CB 3.23Å; D25-S28 WeakPolarHBondContact OD2-CB 3.45Å; D25-S28 PolarHBondContact OD2-N 3.05Å; D25-S28 VanDerWaalsContact OD2-N 3.08Å; D25-S28 PolarHBondContact OD2-OG 3.3Å; S28-Y31 PolarHBondContact O-N 3.48Å; S28-A32 WeakPolarHBondContact O-CB 3.36Å; S28-A32 PolarHBondContact O-N 3.21Å
29	I	83.3	Confident	78.2	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.051	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-44.1	176.7	-67.3	168.5	0	0	0	111	A21 D25 V27 Y31 A32 I33 I163 V167	A21-I29 HydrophobicContact CB-CG1 3.96Å; D25-I29 WeakPolarHBondContact O-CG1 3.46Å; D25-I29 PolarHBondContact O-N 2.95Å; V27-I29 VanDerWaalsContact C-N 3.33Å; V27-I29 PolarHBondContact O-N 3.4Å; I29-Y31 VanDerWaalsContact C-N 3.34Å; I29-Y31 PolarHBondContact O-N 3.49Å; I29-A32 PolarHBondContact O-N 2.92Å; I29-I33 HydrophobicContact CG2-CD1 3.81Å; I29-I33 HydrophobicContact CG2-CG1 4.4Å; I29-I33 WeakPolarHBondContact O-CG1 3.33Å; I29-I33 PolarHBondContact O-N 3.47Å; I29-I163 HydrophobicContact CD1-CD1 4.5Å; I29-I163 HydrophobicContact CG2-CB 4.4Å; I29-I163 HydrophobicContact CG2-CG2 4.41Å; I29-V167 HydrophobicContact CG2-CG2 3.82Å
30	K	83.9	Confident	79.4	Confident	27 Å²	27	62 Å²	62	12%	0.117	30%	0.297	C	S	.	.	H	α-helix	trans	-56.4	-49.4	176.7	-173	-165.6	173.2	-177.2	0	111	S26 V27 A32 I33 D34 S133 M135 Y142	S26-K30 WeakPolarHBondContact O-CB 3.42Å; S26-K30 PolarHBondContact O-N 3.29Å; V27-K30 WeakPolarHBondContact O-CB 3.27Å; V27-K30 PolarHBondContact O-N 2.93Å; K30-A32 PolarHBondContact O-N 3.5Å; K30-I33 PolarHBondContact O-N 3.03Å; K30-D34 PolarHBondContact O-N 3.36Å; K30-S133 WeakPolarHBondContact CE-O 3.31Å; K30-S133 WeakPolarHBondContact CE-OG 3.3Å; K30-S133 PolarHBondContact NZ-O 3.04Å; K30-M135 HydrophobicContact CB-SD 4.12Å; K30-M135 HydrophobicContact CD-CB 4.18Å; K30-M135 HydrophobicContact CG-CB 4.49Å; K30-M135 HydrophobicContact CG-SD 4.44Å; K30-Y142 HydrophobicContact CG-CD2 4.09Å; K30-Y142 HydrophobicContact CG-CE2 3.81Å
31	Y	84.5	Confident	80.5	Confident	142 Å²	142	54 Å²	54	56%	0.557	26%	0.263	S	S	*	.	H	α-helix	trans	-64.4	-38.9	179.2	-67.1	-47.7	0	0	0	112.7	V27 S28 I29 I33 D34 D35	V27-Y31 HydrophobicContact CG1-CD2 3.8Å; V27-Y31 HydrophobicContact CG1-CE2 3.24Å; V27-Y31 WeakPolarHBondContact O-CD2 3.39Å; V27-Y31 PolarHBondContact O-N 3.12Å; S28-Y31 PolarHBondContact O-N 3.48Å; I29-Y31 VanDerWaalsContact C-N 3.34Å; I29-Y31 PolarHBondContact O-N 3.49Å; Y31-I33 VanDerWaalsContact C-N 3.33Å; Y31-I33 PolarHBondContact O-N 3.39Å; Y31-D34 PolarHBondContact O-N 3.43Å; Y31-D35 WeakPolarHBondContact O-CB 3.39Å; Y31-D35 PolarHBondContact O-N 3.46Å
32	A	85	Confident	81.3	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.033	27%	0.27	C	S	.	.	H	α-helix	trans	-61.3	-41.3	175.1	0	0	0	0	0	112.4	I19 A21 S28 I29 K30 A36 V173	I19-A32 HydrophobicContact CB-CB 4.21Å; I19-A32 WeakPolarHBondContact CD1-O 3.41Å; I19-A32 HydrophobicContact CG2-CB 3.42Å; I19-A32 VanDerWaalsContact CG2-CB 3.42Å; A21-A32 HydrophobicContact CB-CB 3.87Å; S28-A32 WeakPolarHBondContact O-CB 3.36Å; S28-A32 PolarHBondContact O-N 3.21Å; I29-A32 PolarHBondContact O-N 2.92Å; K30-A32 PolarHBondContact O-N 3.5Å; A32-A36 WeakPolarHBondContact O-CB 3.23Å; A32-A36 PolarHBondContact O-N 3.3Å; A32-V173 HydrophobicContact CB-CG2 4.04Å
33	I	86.4	Confident	82	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-66.8	-45.8	174.6	-64.2	167.6	0	0	0	110.2	I29 K30 Y31 D35 A36 V37 Y142 I163 W166 V167 L178	I29-I33 HydrophobicContact CG2-CD1 3.81Å; I29-I33 HydrophobicContact CG2-CG1 4.4Å; I29-I33 WeakPolarHBondContact O-CG1 3.33Å; I29-I33 PolarHBondContact O-N 3.47Å; K30-I33 PolarHBondContact O-N 3.03Å; Y31-I33 VanDerWaalsContact C-N 3.33Å; Y31-I33 PolarHBondContact O-N 3.39Å; I33-D35 VanDerWaalsContact C-N 3.32Å; I33-D35 PolarHBondContact O-N 2.91Å; I33-A36 PolarHBondContact O-N 3.37Å; I33-V37 HydrophobicContact CG2-CG2 4.26Å; I33-V37 WeakPolarHBondContact O-CG2 3.35Å; I33-V37 PolarHBondContact O-N 3Å; I33-Y142 HydrophobicContact CB-CE2 4.48Å; I33-Y142 HydrophobicContact CG2-CD1 4.47Å; I33-Y142 HydrophobicContact CG2-CE1 3.8Å; I33-Y142 HydrophobicContact CG2-CE2 4.21Å; I33-I163 HydrophobicContact CD1-CB 4.45Å; I33-I163 HydrophobicContact CD1-CG2 4.11Å; I33-W166 HydrophobicContact CD1-CE3 4.38Å; I33-V167 HydrophobicContact CD1-CG2 4.03Å; I33-V167 HydrophobicContact CG1-CG2 4.25Å; I33-L178 HydrophobicContact CG2-CD1 4.27Å; I33-L178 HydrophobicContact CG2-CD2 4.43Å
34	D	86.8	Confident	82.4	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.043	27%	0.266	C	S	.	.	H	α-helix	trans	-57	-44.9	178.4	-69.2	-19.4	0	0	0	111.4	K30 Y31 V37 R38 F114 S133 Y142	K30-D34 PolarHBondContact O-N 3.36Å; Y31-D34 PolarHBondContact O-N 3.43Å; D34-V37 PolarHBondContact O-N 3.33Å; D34-R38 WeakPolarHBondContact O-CB 3.29Å; D34-R38 PolarHBondContact O-N 2.93Å; D34-F114 HydrophobicContact CB-CB 4.43Å; D34-F114 HydrophobicContact CB-CD1 4.43Å; D34-F114 HydrophobicContact CB-CD2 4.05Å; D34-F114 HydrophobicContact CB-CE2 4.41Å; D34-F114 HydrophobicContact CB-CG 4.06Å; D34-F114 VanDerWaalsContact O-CE2 3.27Å; D34-F114 WeakPolarHBondContact O-CE2 3.47Å; D34-S133 VanDerWaalsContact CG-OG 3.22Å; D34-S133 WeakPolarHBondContact OD1-CB 2.87Å; D34-S133 PolarHBondContact OD1-OG 3.41Å; D34-S133 PolarHBondContact OD2-OG 2.96Å; D34-Y142 WeakPolarHBondContact OD1-CE2 3.41Å; D34-Y142 PolarHBondContact OD1-OH 3.22Å
35	D	85.9	Confident	82.4	Confident	80 Å²	80	46.5 Å²	46.5	43%	0.428	24%	0.236	S	C	.	.	H	α-helix	trans	-66.6	-40.7	177.2	-77.6	-22.9	0	0	0	112.1	I19 Y31 I33 R38 L39	I19-D35 HydrophobicContact CD1-CB 3.91Å; Y31-D35 WeakPolarHBondContact O-CB 3.39Å; Y31-D35 PolarHBondContact O-N 3.46Å; I33-D35 VanDerWaalsContact C-N 3.32Å; I33-D35 PolarHBondContact O-N 2.91Å; D35-R38 WeakPolarHBondContact O-CB 3.22Å; D35-R38 PolarHBondContact O-N 3.15Å; D35-L39 WeakPolarHBondContact O-CG 3.46Å; D35-L39 PolarHBondContact O-N 3.18Å
36	A	86.6	Confident	81.9	Confident	3 Å²	3	51.1 Å²	51.1	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-44.1	174.9	0	0	0	0	0	111.7	I19 A32 I33 R38 L39 I40 V173 L178	I19-A36 HydrophobicContact CD1-CB 4.37Å; A32-A36 WeakPolarHBondContact O-CB 3.23Å; A32-A36 PolarHBondContact O-N 3.3Å; I33-A36 PolarHBondContact O-N 3.37Å; A36-R38 VanDerWaalsContact C-N 3.29Å; A36-R38 PolarHBondContact O-N 3.35Å; A36-L39 PolarHBondContact O-N 3.47Å; A36-I40 WeakPolarHBondContact O-CB 3.45Å; A36-I40 WeakPolarHBondContact O-CD1 3.41Å; A36-I40 WeakPolarHBondContact O-CG1 2.99Å; A36-I40 PolarHBondContact O-N 3.1Å; A36-V173 HydrophobicContact CB-CG1 3.83Å; A36-L178 HydrophobicContact CB-CD2 3.56Å
37	V	86.8	Confident	81.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.2	-41.9	173.8	174.3	0	0	0	0	110.4	I33 D34 I40 A41 F114 F131 L144 L178 V182	I33-V37 HydrophobicContact CG2-CG2 4.26Å; I33-V37 WeakPolarHBondContact O-CG2 3.35Å; I33-V37 PolarHBondContact O-N 3Å; D34-V37 PolarHBondContact O-N 3.33Å; V37-I40 PolarHBondContact O-N 3.06Å; V37-A41 VanDerWaalsContact O-CB 3.24Å; V37-A41 WeakPolarHBondContact O-CB 3.34Å; V37-A41 PolarHBondContact O-N 3.4Å; V37-F114 HydrophobicContact CB-CE2 4.24Å; V37-F114 HydrophobicContact CB-CZ 4.08Å; V37-F114 HydrophobicContact CG1-CE2 4.15Å; V37-F114 HydrophobicContact CG1-CZ 3.74Å; V37-F131 HydrophobicContact CG1-CD1 4.45Å; V37-L144 HydrophobicContact CG1-CD1 4.37Å; V37-L144 HydrophobicContact CG1-CD2 4.14Å; V37-L144 HydrophobicContact CG2-CD2 4.16Å; V37-L178 HydrophobicContact CG2-CD1 3.78Å; V37-L178 HydrophobicContact CG2-CD2 3.85Å; V37-L178 HydrophobicContact CG2-CG 4Å; V37-V182 HydrophobicContact CB-CG2 4.47Å; V37-V182 HydrophobicContact CG1-CG2 3.95Å; V37-V182 HydrophobicContact CG2-CG2 4.03Å
38	R	84.5	Confident	81	Confident	76 Å²	76	49.3 Å²	49.3	29%	0.287	25%	0.251	S	S	.	.	H	α-helix	trans	-61.5	-48.1	178	172.1	171.1	177.8	-162.7	-4.1	112.2	D34 D35 A36 I40 A41 L42 E49 H51 F114 L115	D34-R38 WeakPolarHBondContact O-CB 3.29Å; D34-R38 PolarHBondContact O-N 2.93Å; D35-R38 WeakPolarHBondContact O-CB 3.22Å; D35-R38 PolarHBondContact O-N 3.15Å; A36-R38 VanDerWaalsContact C-N 3.29Å; A36-R38 PolarHBondContact O-N 3.35Å; R38-I40 PolarHBondContact O-N 2.99Å; R38-A41 PolarHBondContact O-N 3.26Å; R38-L42 HydrophobicContact CG-CD1 3.87Å; R38-L42 HydrophobicContact CG-CG 4.46Å; R38-L42 VanDerWaalsContact O-CG 3.27Å; R38-L42 WeakPolarHBondContact O-CG 3.31Å; R38-L42 PolarHBondContact O-N 3.48Å; R38-E49 IonicContact CZ-OE1 3.2Å; R38-E49 IonicContact CZ-OE2 2.82Å; R38-E49 VanDerWaalsContact NE-CD 3.35Å; R38-E49 IonicContact NE-OE1 2.88Å; R38-E49 PolarHBondContact NE-OE1 3.06Å; R38-E49 IonicContact NE-OE2 3.88Å; R38-E49 PolarHBondContact NE-OE2 3.3Å; R38-E49 IonicContact NH1-OE1 3.38Å; R38-E49 IonicContact NH2-OE1 2.64Å; R38-E49 PolarHBondContact NH2-OE1 3.05Å; R38-E49 IonicContact NH2-OE2 3.19Å; R38-E49 PolarHBondContact NH2-OE2 3.03Å; R38-H51 PolarHBondContact NH2-CE1 3.23Å; R38-F114 HydrophobicContact CB-CD2 4.47Å; R38-F114 HydrophobicContact CB-CE2 4.24Å; R38-L115 HydrophobicContact CB-CD2 4.45Å; R38-L115 HydrophobicContact CG-CD1 4.02Å; R38-L115 HydrophobicContact CG-CD2 4.4Å
39	L	84.9	Confident	80.7	Confident	94 Å²	94	48.6 Å²	48.6	49%	0.492	24%	0.243	S	C	.	.	H	α-helix	trans	-60.2	-46.1	177.2	-71.3	172.8	0	0	0	111.4	D35 A36 A41 L42 E43	D35-L39 WeakPolarHBondContact O-CG 3.46Å; D35-L39 PolarHBondContact O-N 3.18Å; A36-L39 PolarHBondContact O-N 3.47Å; L39-A41 VanDerWaalsContact C-N 3.33Å; L39-A41 PolarHBondContact O-N 2.93Å; L39-L42 PolarHBondContact O-N 3.22Å; L39-E43 VanDerWaalsContact O-CB 3.28Å; L39-E43 WeakPolarHBondContact O-CB 3.39Å; L39-E43 PolarHBondContact O-N 3.3Å
40	I	84.6	Confident	80.3	Confident	13 Å²	13	49.2 Å²	49.2	7%	0.067	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-44.1	176.7	-70	164.8	0	0	0	110.7	A36 V37 R38 N44 L178 V182	A36-I40 WeakPolarHBondContact O-CB 3.45Å; A36-I40 WeakPolarHBondContact O-CD1 3.41Å; A36-I40 WeakPolarHBondContact O-CG1 2.99Å; A36-I40 PolarHBondContact O-N 3.1Å; V37-I40 PolarHBondContact O-N 3.06Å; R38-I40 PolarHBondContact O-N 2.99Å; I40-N44 WeakPolarHBondContact CG2-ND2 3.47Å; I40-N44 VanDerWaalsContact O-CB 3.28Å; I40-N44 WeakPolarHBondContact O-CB 3.27Å; I40-N44 PolarHBondContact O-N 3.36Å; I40-N44 PolarHBondContact O-ND2 3.45Å; I40-L178 HydrophobicContact CD1-CB 4.1Å; I40-L178 HydrophobicContact CD1-CD2 3.92Å; I40-L178 HydrophobicContact CD1-CG 3.94Å; I40-V182 HydrophobicContact CG2-CB 4.17Å; I40-V182 HydrophobicContact CG2-CG1 4.05Å
41	A	82	Confident	79.9	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67	-40	-177.9	0	0	0	0	0	112.2	V37 R38 L39 F45 L115 F131	V37-A41 VanDerWaalsContact O-CB 3.24Å; V37-A41 WeakPolarHBondContact O-CB 3.34Å; V37-A41 PolarHBondContact O-N 3.4Å; R38-A41 PolarHBondContact O-N 3.26Å; L39-A41 VanDerWaalsContact C-N 3.33Å; L39-A41 PolarHBondContact O-N 2.93Å; A41-F45 WeakPolarHBondContact O-CB 3.29Å; A41-F45 PolarHBondContact O-N 2.86Å; A41-L115 HydrophobicContact CB-CD2 3.7Å; A41-F131 HydrophobicContact CB-CE1 4.47Å; A41-F131 HydrophobicContact CB-CZ 4.25Å
42	L	79.8	Confident	79.3	Confident	48 Å²	48	56.2 Å²	56.2	25%	0.251	28%	0.276	S	S	.	.	H	α-helix	trans	-70.3	-43.7	177	-66.4	170.9	0	0	0	111.8	R38 L39 D46 L47 E49	R38-L42 HydrophobicContact CG-CD1 3.87Å; R38-L42 HydrophobicContact CG-CG 4.46Å; R38-L42 VanDerWaalsContact O-CG 3.27Å; R38-L42 WeakPolarHBondContact O-CG 3.31Å; R38-L42 PolarHBondContact O-N 3.48Å; L39-L42 PolarHBondContact O-N 3.22Å; L42-D46 PolarHBondContact O-N 3.06Å; L42-L47 VanDerWaalsContact CD2-O 3.31Å; L42-L47 WeakPolarHBondContact CD2-O 3.26Å; L42-E49 WeakPolarHBondContact CD1-OE2 3.34Å; L42-E49 HydrophobicContact CD2-CB 3.9Å
43	E	80.6	Confident	78.7	Confident	127 Å²	127	59 Å²	59	59%	0.593	29%	0.29	S	S	*	.	H	α-helix	trans	-73.9	-39.1	-176.5	-174.7	164.3	-163.4	0	0	112.9	K16 L39	K16-E43 VanDerWaalsContact NZ-CD 3.26Å; K16-E43 IonicContact NZ-OE1 2.75Å; K16-E43 PolarHBondContact NZ-OE1 3.33Å; K16-E43 IonicContact NZ-OE2 3.19Å; K16-E43 PolarHBondContact NZ-OE2 3.32Å; L39-E43 VanDerWaalsContact O-CB 3.28Å; L39-E43 WeakPolarHBondContact O-CB 3.39Å; L39-E43 PolarHBondContact O-N 3.3Å
44	N	76.9	Confident	78.3	Confident	69 Å²	69	63.1 Å²	63.1	37%	0.369	31%	0.311	S	S	.	.	H	α-helix	trans	-85.3	-30.8	-176.1	-71	-87.9	0	0	0	113.9	I40 K183	I40-N44 WeakPolarHBondContact CG2-ND2 3.47Å; I40-N44 VanDerWaalsContact O-CB 3.28Å; I40-N44 WeakPolarHBondContact O-CB 3.27Å; I40-N44 PolarHBondContact O-N 3.36Å; I40-N44 PolarHBondContact O-ND2 3.45Å; N44-K183 WeakPolarHBondContact OD1-CE 3.41Å; N44-K183 PolarHBondContact OD1-NZ 3.32Å
45	F	70.1	Confident	78	Confident	42 Å²	42	64.3 Å²	64.3	18%	0.184	33%	0.326	C	S	.	.	H	α-helix	trans	-112.6	1.9	-171.9	-57.2	-68.7	0	0	0	114.2	A41 L47 V182 K183 Y186	A41-F45 WeakPolarHBondContact O-CB 3.29Å; A41-F45 PolarHBondContact O-N 2.86Å; F45-L47 HydrophobicContact CB-CD1 3.52Å; F45-L47 HydrophobicContact CB-CG 3.66Å; F45-L47 HydrophobicContact CD2-CD1 4.29Å; F45-L47 HydrophobicContact CG-CD1 4.24Å; F45-L47 PolarHBondContact O-N 2.91Å; F45-V182 HydrophobicContact CE2-CG1 4.2Å; F45-K183 HydrophobicContact CZ-CG 4.09Å; F45-Y186 AromaticContact CD1-CD1 3.7Å; F45-Y186 HydrophobicContact CD1-CD1 3.7Å; F45-Y186 HydrophobicContact CD1-CD2 4.05Å; F45-Y186 AromaticContact CD1-CE1 3.54Å; F45-Y186 HydrophobicContact CD1-CE1 3.54Å; F45-Y186 AromaticContact CD1-CE2 3.93Å; F45-Y186 HydrophobicContact CD1-CE2 3.93Å; F45-Y186 AromaticContact CD1-CG 3.93Å; F45-Y186 HydrophobicContact CD1-CG 3.93Å; F45-Y186 AromaticContact CD1-CZ 3.67Å; F45-Y186 HydrophobicContact CD2-CD2 4.28Å; F45-Y186 AromaticContact CE1-CD1 3.14Å; F45-Y186 HydrophobicContact CE1-CD1 3.14Å; F45-Y186 AromaticContact CE1-CD2 3.95Å; F45-Y186 HydrophobicContact CE1-CD2 3.95Å; F45-Y186 AromaticContact CE1-CE1 3.48Å; F45-Y186 HydrophobicContact CE1-CE1 3.48Å; F45-Y186 VanDerWaalsContact CE1-CE1 3.48Å; F45-Y186 HydrophobicContact CE1-CE2 4.25Å; F45-Y186 AromaticContact CE1-CG 3.38Å; F45-Y186 HydrophobicContact CE1-CG 3.38Å; F45-Y186 HydrophobicContact CE2-CD2 4.18Å; F45-Y186 HydrophobicContact CE2-CG 4.04Å; F45-Y186 HydrophobicContact CG-CD2 4.22Å; F45-Y186 HydrophobicContact CG-CE2 4.12Å; F45-Y186 HydrophobicContact CG-CG 4.47Å; F45-Y186 VanDerWaalsContact CZ-CB 3.47Å; F45-Y186 AromaticContact CZ-CD1 3.69Å; F45-Y186 HydrophobicContact CZ-CD1 3.69Å; F45-Y186 HydrophobicContact CZ-CD2 4.01Å; F45-Y186 HydrophobicContact CZ-CE1 4.39Å; F45-Y186 AromaticContact CZ-CG 3.44Å; F45-Y186 HydrophobicContact CZ-CG 3.44Å; F45-Y186 VanDerWaalsContact CZ-CG 3.44Å
46	D	65.7	Low	77.7	Confident	156 Å²	156	61.9 Å²	61.9	83%	0.834	32%	0.319	S	S	*	.			trans	45.7	38.5	-178.7	-161.4	32.4	0	0	0	112.5	L42	L42-D46 PolarHBondContact O-N 3.06Å
47	L	69.9	Low	77.4	Confident	9 Å²	9	69.9 Å²	69.9	5%	0.047	35%	0.349	C	S	.	.			trans	-77.8	129.6	-178	-70.2	157.7	0	0	0	108.7	L42 F45 E49 A117 E119 W129	L42-L47 VanDerWaalsContact CD2-O 3.31Å; L42-L47 WeakPolarHBondContact CD2-O 3.26Å; F45-L47 HydrophobicContact CB-CD1 3.52Å; F45-L47 HydrophobicContact CB-CG 3.66Å; F45-L47 HydrophobicContact CD2-CD1 4.29Å; F45-L47 HydrophobicContact CG-CD1 4.24Å; F45-L47 PolarHBondContact O-N 2.91Å; L47-E49 PolarHBondContact O-N 3.19Å; L47-A117 HydrophobicContact CB-CB 3.6Å; L47-A117 HydrophobicContact CD1-CB 3.95Å; L47-A117 HydrophobicContact CD2-CB 4.24Å; L47-A117 HydrophobicContact CG-CB 4.14Å; L47-E119 HydrophobicContact CD2-CB 3.72Å; L47-E119 HydrophobicContact CD2-CG 4.16Å; L47-W129 HydrophobicContact CD2-CG 4.29Å
48	S	71.1	Confident	77.3	Confident	80 Å²	80	74.7 Å²	74.7	56%	0.559	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	112.9	175.5	-176.2	0	0	0	0	109.6	S50 A117 R118	S48-S50 PolarHBondContact O-N 3.35Å; S48-A117 CarbonylContact O-C 3.54Å; S48-R118 WeakPolarHBondContact CB-O 3.08Å; S48-R118 PolarHBondContact N-O 3.38Å; S48-R118 PolarHBondContact O-N 3.36Å
49	E	75.1	Confident	77.4	Confident	33 Å²	33	77.9 Å²	77.9	15%	0.154	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	131.8	177.5	-161.5	175.9	154.7	0	0	111	R38 L42 L47 H51 L115	R38-E49 IonicContact CZ-OE1 3.2Å; R38-E49 IonicContact CZ-OE2 2.82Å; R38-E49 VanDerWaalsContact NE-CD 3.35Å; R38-E49 IonicContact NE-OE1 2.88Å; R38-E49 PolarHBondContact NE-OE1 3.06Å; R38-E49 IonicContact NE-OE2 3.88Å; R38-E49 PolarHBondContact NE-OE2 3.3Å; R38-E49 IonicContact NH1-OE1 3.38Å; R38-E49 IonicContact NH2-OE1 2.64Å; R38-E49 PolarHBondContact NH2-OE1 3.05Å; R38-E49 IonicContact NH2-OE2 3.19Å; R38-E49 PolarHBondContact NH2-OE2 3.03Å; L42-E49 WeakPolarHBondContact CD1-OE2 3.34Å; L42-E49 HydrophobicContact CD2-CB 3.9Å; L47-E49 PolarHBondContact O-N 3.19Å; E49-H51 IonicContact OE1-CE1 3.13Å; E49-H51 PolarHBondContact OE1-CE1 3.26Å; E49-H51 IonicContact OE1-ND1 3.09Å; E49-H51 PolarHBondContact OE1-ND1 2.82Å; E49-H51 VanDerWaalsContact OE1-ND1 3.09Å; E49-H51 IonicContact OE2-CE1 3.26Å; E49-H51 PolarHBondContact OE2-CE1 3.5Å; E49-H51 VanDerWaalsContact OE2-CE1 3.26Å; E49-H51 IonicContact OE2-NE2 3.99Å; E49-L115 HydrophobicContact CG-CD1 3.6Å
50	S	75.6	Confident	77.3	Confident	22 Å²	22	75.3 Å²	75.3	15%	0.154	38%	0.376	C	S	.	.			trans	-103.2	100.8	171.8	52.4	0	0	0	0	109.9	S48 W52 L116	S48-S50 PolarHBondContact O-N 3.35Å; S50-W52 PolarHBondContact O-N 3.35Å; S50-W52 VanDerWaalsContact O-N 3.11Å; S50-L116 PolarHBondContact N-O 3Å; S50-L116 WeakPolarHBondContact OG-CB 3.3Å; S50-L116 WeakPolarHBondContact OG-CD2 3.49Å; S50-L116 PolarHBondContact OG-O 3.23Å
51	H	74.3	Confident	77.3	Confident	98 Å²	98	77.2 Å²	77.2	45%	0.454	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	20.3	179.3	-57.6	-73	0	0	0	113.9	R38 E49 L53 I54 G55	R38-H51 PolarHBondContact NH2-CE1 3.23Å; E49-H51 IonicContact OE1-CE1 3.13Å; E49-H51 PolarHBondContact OE1-CE1 3.26Å; E49-H51 IonicContact OE1-ND1 3.09Å; E49-H51 PolarHBondContact OE1-ND1 2.82Å; E49-H51 VanDerWaalsContact OE1-ND1 3.09Å; E49-H51 IonicContact OE2-CE1 3.26Å; E49-H51 PolarHBondContact OE2-CE1 3.5Å; E49-H51 VanDerWaalsContact OE2-CE1 3.26Å; E49-H51 IonicContact OE2-NE2 3.99Å; H51-L53 PolarHBondContact O-N 2.95Å; H51-I54 HydrophobicContact CB-CG2 3.68Å; H51-I54 VanDerWaalsContact O-CG2 3.29Å; H51-I54 WeakPolarHBondContact O-CG2 3.35Å; H51-I54 PolarHBondContact O-N 3.3Å; H51-G55 WeakPolarHBondContact O-CA 3.11Å; H51-G55 PolarHBondContact O-N 3.46Å
52	W	71.8	Confident	77.6	Confident	219 Å²	219	80.8 Å²	80.8	83%	0.83	42%	0.415	S	S	*	.	H	α-helix	trans	-62.6	-41	-173.8	-176.5	-90	0	0	0	112.4	S50 G56	S50-W52 PolarHBondContact O-N 3.35Å; S50-W52 VanDerWaalsContact O-N 3.11Å; W52-G56 PolarHBondContact O-N 2.87Å
53	L	72.5	Confident	78	Confident	61 Å²	61	83 Å²	83	32%	0.319	43%	0.427	S	S	.	.	H	α-helix	trans	-68.3	-47.6	-179.7	-75.4	94.6	0	0	0	112.1	H51 G55 G56 R57 L116	H51-L53 PolarHBondContact O-N 2.95Å; L53-G55 VanDerWaalsContact C-N 3.34Å; L53-G56 PolarHBondContact O-N 3.3Å; L53-R57 PolarHBondContact O-N 2.97Å; L53-L116 HydrophobicContact CD1-CB 4.44Å; L53-L116 HydrophobicContact CD1-CD1 3.41Å; L53-L116 VanDerWaalsContact CD1-CD1 3.41Å; L53-L116 HydrophobicContact CD1-CG 4.47Å
54	I	78.1	Confident	78.2	Confident	87 Å²	87	78.1 Å²	78.1	45%	0.446	41%	0.409	S	S	.	.	H	α-helix	trans	-67.4	-38.6	179	-171.7	62.8	0	0	0	111.2	H51 G56 R57 I58	H51-I54 HydrophobicContact CB-CG2 3.68Å; H51-I54 VanDerWaalsContact O-CG2 3.29Å; H51-I54 WeakPolarHBondContact O-CG2 3.35Å; H51-I54 PolarHBondContact O-N 3.3Å; I54-G56 VanDerWaalsContact C-N 3.33Å; I54-G56 PolarHBondContact O-N 3.32Å; I54-R57 PolarHBondContact O-N 3.35Å; I54-I58 HydrophobicContact CD1-CD1 4.48Å; I54-I58 HydrophobicContact CG1-CD1 4.01Å; I54-I58 WeakPolarHBondContact O-CG1 3.33Å; I54-I58 PolarHBondContact O-N 2.98Å
55	G	80.9	Confident	78.7	Confident	34 Å²	34	79 Å²	79	35%	0.351	42%	0.417	S	S	.	.	H	α-helix	trans	-61.2	-40.7	174.7	0	0	0	0	0	112.2	H51 L53 I58 F59	H51-G55 WeakPolarHBondContact O-CA 3.11Å; H51-G55 PolarHBondContact O-N 3.46Å; L53-G55 VanDerWaalsContact C-N 3.34Å; G55-I58 PolarHBondContact O-N 3.42Å; G55-F59 WeakPolarHBondContact O-CB 3.49Å; G55-F59 PolarHBondContact O-N 2.76Å
56	G	80.9	Confident	79.6	Confident	28 Å²	28	79.4 Å²	79.4	29%	0.289	43%	0.427	S	S	.	.	H	α-helix	trans	-59.8	-46.3	174.1	0	0	0	0	0	112.6	W52 L53 I54 I58 F59 I60	W52-G56 PolarHBondContact O-N 2.87Å; L53-G56 PolarHBondContact O-N 3.3Å; I54-G56 VanDerWaalsContact C-N 3.33Å; I54-G56 PolarHBondContact O-N 3.32Å; G56-I58 PolarHBondContact O-N 3.45Å; G56-F59 PolarHBondContact O-N 3.41Å; G56-I60 WeakPolarHBondContact O-CD1 3.34Å; G56-I60 VanDerWaalsContact O-CG1 3.29Å; G56-I60 WeakPolarHBondContact O-CG1 3.29Å; G56-I60 PolarHBondContact O-N 3.38Å
57	R	79.1	Confident	80.4	Confident	172 Å²	172	74.8 Å²	74.8	65%	0.649	41%	0.406	S	S	*	.	H	α-helix	trans	-62.1	-44.9	178.1	-175.5	175.5	178.7	176	0	112.2	L53 I54 F59 S61	L53-R57 PolarHBondContact O-N 2.97Å; I54-R57 PolarHBondContact O-N 3.35Å; R57-F59 VanDerWaalsContact C-N 3.34Å; R57-S61 PolarHBondContact O-N 3.11Å; R57-S61 PolarHBondContact O-OG 3.48Å
58	I	85.2	Confident	81.1	Confident	101 Å²	101	76.4 Å²	76.4	52%	0.518	42%	0.422	S	S	.	.	H	α-helix	trans	-66.8	-38	178.6	-65.9	169.3	0	0	0	111	I54 G55 G56 S61 S62	I54-I58 HydrophobicContact CD1-CD1 4.48Å; I54-I58 HydrophobicContact CG1-CD1 4.01Å; I54-I58 WeakPolarHBondContact O-CG1 3.33Å; I54-I58 PolarHBondContact O-N 2.98Å; G55-I58 PolarHBondContact O-N 3.42Å; G56-I58 PolarHBondContact O-N 3.45Å; I58-S61 PolarHBondContact O-OG 3.04Å; I58-S61 VanDerWaalsContact O-OG 3.06Å; I58-S62 VanDerWaalsContact O-CB 3.23Å; I58-S62 WeakPolarHBondContact O-CB 3.34Å; I58-S62 PolarHBondContact O-N 2.97Å
59	F	86.3	Confident	81.9	Confident	142 Å²	142	77.9 Å²	77.9	62%	0.623	42%	0.422	S	S	*	.	H	α-helix	trans	-64.1	-45.8	178.9	-177.7	-99.9	0	0	0	111.8	G55 G56 R57 S62 L63	G55-F59 WeakPolarHBondContact O-CB 3.49Å; G55-F59 PolarHBondContact O-N 2.76Å; G56-F59 PolarHBondContact O-N 3.41Å; R57-F59 VanDerWaalsContact C-N 3.34Å; F59-S62 PolarHBondContact O-N 3.09Å; F59-L63 WeakPolarHBondContact O-CB 3.5Å; F59-L63 PolarHBondContact O-N 2.91Å
60	I	83.9	Confident	82.4	Confident	40 Å²	40	82.5 Å²	82.5	21%	0.205	44%	0.442	C	S	.	.	H	α-helix	trans	-64.7	-44.7	179.8	-64.4	159.8	0	0	0	110.8	G56 L63 A64 V100 L101 I104	G56-I60 WeakPolarHBondContact O-CD1 3.34Å; G56-I60 VanDerWaalsContact O-CG1 3.29Å; G56-I60 WeakPolarHBondContact O-CG1 3.29Å; G56-I60 PolarHBondContact O-N 3.38Å; I60-L63 PolarHBondContact O-N 3.47Å; I60-A64 PolarHBondContact O-N 3.26Å; I60-V100 HydrophobicContact CD1-CG1 4.31Å; I60-V100 HydrophobicContact CG2-CG1 4.42Å; I60-L101 HydrophobicContact CB-CD2 4.35Å; I60-L101 HydrophobicContact CG2-CD2 3.83Å; I60-L101 HydrophobicContact CG2-CG 4.22Å; I60-I104 HydrophobicContact CD1-CD1 3.95Å
61	S	83.5	Confident	82.7	Confident	54 Å²	54	82 Å²	82	38%	0.378	44%	0.439	S	S	.	.	H	α-helix	trans	-67.1	-36.9	177.4	60.3	0	0	0	0	112.5	R57 I58 L63 A64 V65	R57-S61 PolarHBondContact O-N 3.11Å; R57-S61 PolarHBondContact O-OG 3.48Å; I58-S61 PolarHBondContact O-OG 3.04Å; I58-S61 VanDerWaalsContact O-OG 3.06Å; S61-L63 VanDerWaalsContact C-N 3.31Å; S61-L63 PolarHBondContact O-N 3.38Å; S61-A64 PolarHBondContact O-N 3.13Å; S61-V65 WeakPolarHBondContact O-CG2 2.92Å; S61-V65 PolarHBondContact O-N 3.41Å; S61-V65 VanDerWaalsContact O-N 3.1Å
62	S	88.8	Confident	83	Confident	74 Å²	74	81.3 Å²	81.3	52%	0.517	45%	0.445	S	S	.	.	H	α-helix	trans	-63.5	-37.8	173.8	-172.2	0	0	0	0	112.1	I58 F59 A66	I58-S62 VanDerWaalsContact O-CB 3.23Å; I58-S62 WeakPolarHBondContact O-CB 3.34Å; I58-S62 PolarHBondContact O-N 2.97Å; F59-S62 PolarHBondContact O-N 3.09Å; S62-A66 WeakPolarHBondContact O-CB 3.08Å; S62-A66 PolarHBondContact O-N 2.82Å
63	L	86.8	Confident	83.6	Confident	95 Å²	95	75.2 Å²	75.2	50%	0.497	43%	0.432	S	S	.	.	H	α-helix	trans	-66.8	-42.9	177.5	-174.2	63.4	0	0	0	111.3	F59 I60 S61 V65 A66 C67	F59-L63 WeakPolarHBondContact O-CB 3.5Å; F59-L63 PolarHBondContact O-N 2.91Å; I60-L63 PolarHBondContact O-N 3.47Å; S61-L63 VanDerWaalsContact C-N 3.31Å; S61-L63 PolarHBondContact O-N 3.38Å; L63-V65 PolarHBondContact O-N 3.09Å; L63-A66 PolarHBondContact O-N 3.19Å; L63-C67 PolarHBondContact O-N 2.64Å; L63-C67 PolarHBondContact O-SG 3.27Å; L63-C67 VanDerWaalsContact O-SG 3.35Å
64	A	85.1	Confident	84	Confident	25 Å²	25	76.8 Å²	76.8	21%	0.207	43%	0.433	C	S	.	.	H	α-helix	trans	-59.6	-46	175.8	0	0	0	0	0	111.9	I60 S61 A66 C67 A68 E97	I60-A64 PolarHBondContact O-N 3.26Å; S61-A64 PolarHBondContact O-N 3.13Å; A64-A66 VanDerWaalsContact C-N 3.35Å; A64-A66 PolarHBondContact O-N 2.91Å; A64-C67 PolarHBondContact O-N 2.84Å; A64-A68 PolarHBondContact O-N 3.48Å; A64-E97 HydrophobicContact CB-CG 4.39Å
65	V	87.5	Confident	84.2	Confident	88 Å²	88	75 Å²	75	53%	0.533	43%	0.425	S	S	.	.	H	α-helix	trans	-64.6	-39	176.2	176.8	0	0	0	0	111.5	S61 L63 A68 L69	S61-V65 WeakPolarHBondContact O-CG2 2.92Å; S61-V65 PolarHBondContact O-N 3.41Å; S61-V65 VanDerWaalsContact O-N 3.1Å; L63-V65 PolarHBondContact O-N 3.09Å; V65-A68 PolarHBondContact O-N 2.75Å; V65-L69 HydrophobicContact CG1-CD1 4.2Å; V65-L69 HydrophobicContact CG1-CG 4.37Å; V65-L69 WeakPolarHBondContact O-CG 3.08Å; V65-L69 PolarHBondContact O-N 2.88Å
66	A	88.5	Confident	83.9	Confident	50 Å²	50	83.9 Å²	83.9	41%	0.413	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-41.9	176.5	0	0	0	0	0	112.1	S62 L63 A64 L69 F70	S62-A66 WeakPolarHBondContact O-CB 3.08Å; S62-A66 PolarHBondContact O-N 2.82Å; L63-A66 PolarHBondContact O-N 3.19Å; A64-A66 VanDerWaalsContact C-N 3.35Å; A64-A66 PolarHBondContact O-N 2.91Å; A66-L69 PolarHBondContact O-N 3.2Å; A66-F70 WeakPolarHBondContact O-CB 3.41Å; A66-F70 PolarHBondContact O-N 3.45Å
67	C	83.6	Confident	83.9	Confident	58 Å²	58	87.4 Å²	87.4	39%	0.392	46%	0.46	S	S	.	.	H	α-helix	trans	-61.9	-43.7	173.7	-70.3	0	0	0	0	111.8	L63 A64 F70 A71	L63-C67 PolarHBondContact O-N 2.64Å; L63-C67 PolarHBondContact O-SG 3.27Å; L63-C67 VanDerWaalsContact O-SG 3.35Å; A64-C67 PolarHBondContact O-N 2.84Å; C67-F70 PolarHBondContact O-N 3.37Å; C67-A71 PolarHBondContact O-N 2.94Å
68	A	84.6	Confident	83.8	Confident	44 Å²	44	84.3 Å²	84.3	36%	0.364	45%	0.449	S	S	.	.	H	α-helix	trans	-62.7	-43.7	176.8	0	0	0	0	0	112.2	A64 V65 F70 A71 C72	A64-A68 PolarHBondContact O-N 3.48Å; V65-A68 PolarHBondContact O-N 2.75Å; A68-F70 VanDerWaalsContact C-N 3.34Å; A68-F70 PolarHBondContact O-N 3.21Å; A68-A71 PolarHBondContact O-N 3.01Å; A68-C72 PolarHBondContact O-N 3.17Å; A68-C72 PolarHBondContact O-SG 2.95Å; A68-C72 VanDerWaalsContact O-SG 3.37Å
69	L	88.2	Confident	83.1	Confident	110 Å²	110	84.1 Å²	84.1	58%	0.576	45%	0.454	S	S	*	.	H	α-helix	trans	-62.6	-42	175.2	-72.2	175.6	0	0	0	111.7	V65 A66 A71 C72 V73	V65-L69 HydrophobicContact CG1-CD1 4.2Å; V65-L69 HydrophobicContact CG1-CG 4.37Å; V65-L69 WeakPolarHBondContact O-CG 3.08Å; V65-L69 PolarHBondContact O-N 2.88Å; A66-L69 PolarHBondContact O-N 3.2Å; L69-A71 VanDerWaalsContact C-N 3.33Å; L69-A71 PolarHBondContact O-N 3.13Å; L69-C72 PolarHBondContact O-N 2.55Å; L69-V73 WeakPolarHBondContact O-CG2 3.46Å; L69-V73 PolarHBondContact O-N 3.32Å
70	F	85.4	Confident	81.7	Confident	130 Å²	130	83.5 Å²	83.5	57%	0.57	45%	0.451	S	S	*	.	H	α-helix	trans	-61.7	-41.8	176.5	-176	-97.3	0	0	0	111.9	A66 C67 A68 V73 W74	A66-F70 WeakPolarHBondContact O-CB 3.41Å; A66-F70 PolarHBondContact O-N 3.45Å; C67-F70 PolarHBondContact O-N 3.37Å; A68-F70 VanDerWaalsContact C-N 3.34Å; A68-F70 PolarHBondContact O-N 3.21Å; F70-V73 PolarHBondContact O-N 3.08Å; F70-W74 HydrophobicContact CE1-CE3 4.41Å; F70-W74 HydrophobicContact CZ-CE3 4.06Å; F70-W74 HydrophobicContact CZ-CZ3 4.47Å; F70-W74 WeakPolarHBondContact O-CB 3.44Å; F70-W74 PolarHBondContact O-N 3.04Å
71	A	81.7	Confident	80.9	Confident	11 Å²	11	86 Å²	86	9%	0.091	47%	0.47	C	S	.	.	H	α-helix	trans	-60.4	-46	174.9	0	0	0	0	0	111.7	C67 A68 L69 V73 W74 D75 V86	C67-A71 PolarHBondContact O-N 2.94Å; A68-A71 PolarHBondContact O-N 3.01Å; L69-A71 VanDerWaalsContact C-N 3.33Å; L69-A71 PolarHBondContact O-N 3.13Å; A71-V73 VanDerWaalsContact C-N 3.35Å; A71-V73 PolarHBondContact O-N 3.02Å; A71-W74 PolarHBondContact O-N 2.74Å; A71-D75 PolarHBondContact O-N 3.27Å; A71-V86 HydrophobicContact CB-CG1 3.95Å
72	C	81.4	Confident	80.2	Confident	85 Å²	85	86.7 Å²	86.7	57%	0.574	48%	0.479	S	S	*	.	H	α-helix	trans	-62.2	-39.4	176.6	-65.3	0	0	0	0	113	A68 L69 W74 W76	A68-C72 PolarHBondContact O-N 3.17Å; A68-C72 PolarHBondContact O-SG 2.95Å; A68-C72 VanDerWaalsContact O-SG 3.37Å; L69-C72 PolarHBondContact O-N 2.55Å; C72-W74 VanDerWaalsContact C-N 3.34Å; C72-W76 PolarHBondContact O-N 3.2Å; C72-W76 VanDerWaalsContact O-N 3.13Å
73	V	84.7	Confident	79.3	Confident	91 Å²	91	83.3 Å²	83.3	55%	0.552	46%	0.455	S	S	*	.	H	α-helix	trans	-66.3	-39.4	176.8	172.5	0	0	0	0	110.8	L69 F70 A71 W76 L77	L69-V73 WeakPolarHBondContact O-CG2 3.46Å; L69-V73 PolarHBondContact O-N 3.32Å; F70-V73 PolarHBondContact O-N 3.08Å; A71-V73 VanDerWaalsContact C-N 3.35Å; A71-V73 PolarHBondContact O-N 3.02Å; V73-W76 PolarHBondContact O-N 3.02Å; V73-L77 PolarHBondContact O-N 2.83Å; V73-L77 VanDerWaalsContact O-N 3.12Å
74	W	80.7	Confident	78.7	Confident	93 Å²	93	85.7 Å²	85.7	35%	0.352	46%	0.458	S	S	.	.	H	α-helix	trans	-65.7	-42.1	177.6	-165.5	-90.9	0	0	0	112.2	F70 A71 C72 W76 L77 Y78 V86	F70-W74 HydrophobicContact CE1-CE3 4.41Å; F70-W74 HydrophobicContact CZ-CE3 4.06Å; F70-W74 HydrophobicContact CZ-CZ3 4.47Å; F70-W74 WeakPolarHBondContact O-CB 3.44Å; F70-W74 PolarHBondContact O-N 3.04Å; A71-W74 PolarHBondContact O-N 2.74Å; C72-W74 VanDerWaalsContact C-N 3.34Å; W74-W76 VanDerWaalsContact C-N 3.26Å; W74-W76 PolarHBondContact O-N 2.75Å; W74-L77 PolarHBondContact O-N 2.91Å; W74-Y78 HydrophobicContact CD2-CD2 4.11Å; W74-Y78 HydrophobicContact CD2-CE2 4.43Å; W74-Y78 AromaticContact CE2-CD2 3.68Å; W74-Y78 AromaticContact CE2-CE2 3.99Å; W74-Y78 HydrophobicContact CH2-CD2 4.4Å; W74-Y78 AromaticContact CH2-CE2 3.86Å; W74-Y78 HydrophobicContact CH2-CE2 3.86Å; W74-Y78 AromaticContact CZ2-CD2 3.85Å; W74-Y78 HydrophobicContact CZ2-CD2 3.85Å; W74-Y78 AromaticContact CZ2-CE2 3.69Å; W74-Y78 HydrophobicContact CZ2-CE2 3.69Å; W74-Y78 HydrophobicContact CZ3-CE2 4.29Å; W74-Y78 AromaticContact NE1-CD2 3.87Å; W74-Y78 PolarHBondContact O-N 3.18Å; W74-V86 HydrophobicContact CG-CG2 4.25Å
75	D	80.5	Confident	78.3	Confident	50 Å²	50	90.7 Å²	90.7	27%	0.267	48%	0.481	S	S	.	.	H	α-helix	trans	-62.7	-33.8	175.5	-71.9	-18.5	0	0	0	112.3	A71 Y78 S83	A71-D75 PolarHBondContact O-N 3.27Å; D75-Y78 CarbonylContact O-C 3.55Å; D75-S83 WeakPolarHBondContact OD1-CB 3.23Å
76	W	75.5	Confident	77.9	Confident	220 Å²	220	88.5 Å²	88.5	83%	0.833	47%	0.467	S	S	*	.	H	α-helix	trans	-70.7	-38.5	176	-175.7	75.1	0	0	0	112.7	C72 V73 W74	C72-W76 PolarHBondContact O-N 3.2Å; C72-W76 VanDerWaalsContact O-N 3.13Å; V73-W76 PolarHBondContact O-N 3.02Å; W74-W76 VanDerWaalsContact C-N 3.26Å; W74-W76 PolarHBondContact O-N 2.75Å
77	L	81	Confident	77.2	Confident	103 Å²	103	90.1 Å²	90.1	54%	0.539	47%	0.469	S	S	.	.	H	α-helix	trans	-77.2	-35.8	-179.4	-171.6	61.9	0	0	0	112.6	V73 W74 P79	V73-L77 PolarHBondContact O-N 2.83Å; V73-L77 VanDerWaalsContact O-N 3.12Å; W74-L77 PolarHBondContact O-N 2.91Å; L77-P79 WeakPolarHBondContact O-CD 3.22Å
78	Y	76.8	Confident	77	Confident	107 Å²	107	92.3 Å²	92.3	42%	0.42	48%	0.476	S	S	.	.	S	Bend	trans	-118.9	87.5	179.7	-66.7	-79	0	0	0	110.4	W74 D75 S83	W74-Y78 HydrophobicContact CD2-CD2 4.11Å; W74-Y78 HydrophobicContact CD2-CE2 4.43Å; W74-Y78 AromaticContact CE2-CD2 3.68Å; W74-Y78 AromaticContact CE2-CE2 3.99Å; W74-Y78 HydrophobicContact CH2-CD2 4.4Å; W74-Y78 AromaticContact CH2-CE2 3.86Å; W74-Y78 HydrophobicContact CH2-CE2 3.86Å; W74-Y78 AromaticContact CZ2-CD2 3.85Å; W74-Y78 HydrophobicContact CZ2-CD2 3.85Å; W74-Y78 AromaticContact CZ2-CE2 3.69Å; W74-Y78 HydrophobicContact CZ2-CE2 3.69Å; W74-Y78 HydrophobicContact CZ3-CE2 4.29Å; W74-Y78 AromaticContact NE1-CD2 3.87Å; W74-Y78 PolarHBondContact O-N 3.18Å; D75-Y78 CarbonylContact O-C 3.55Å; Y78-S83 VanDerWaalsContact O-CB 3.3Å; Y78-S83 WeakPolarHBondContact O-CB 3.43Å; Y78-S83 PolarHBondContact O-OG 3.33Å
79	P	69.7	Low	76.8	Confident	96 Å²	96	92.2 Å²	92.2	62%	0.623	48%	0.475	S	S	*	.			trans	-63.1	155.4	175.2	25.4	-32.6	0	0	0	111.1	L77	L77-P79 WeakPolarHBondContact O-CD 3.22Å
80	F	57.6	Low	76.4	Confident	130 Å²	130	89.6 Å²	89.6	57%	0.57	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.9	134.5	-179.6	-105	-93.1	0	0	0	112	R84 L87	F80-R84 HydrophobicContact CD1-CG 4.21Å; F80-R84 HydrophobicContact CE1-CG 3.61Å; F80-R84 HydrophobicContact CZ-CG 4.27Å; F80-L87 HydrophobicContact CE2-CD2 4.06Å; F80-L87 HydrophobicContact CZ-CD2 3.85Å
81	P	66.6	Low	76.1	Confident	92 Å²	92	87.4 Å²	87.4	60%	0.597	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	cis	-105	1.9	21.4	37.6	-35.2	0	0	0	117	S83 R84	P81-S83 VanDerWaalsContact C-N 3.29Å; P81-S83 PolarHBondContact O-N 3.3Å; P81-R84 WeakPolarHBondContact O-CG 3.14Å
82	A	70.6	Confident	76	Confident	69 Å²	69	92.7 Å²	92.7	57%	0.57	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.4	-171.8	0	0	0	0	0	114.6
83	S	69.9	Low	75.8	Confident	3 Å²	3	92.6 Å²	92.6	2%	0.021	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	0.5	-174.5	26	0	0	0	0	115.1	D75 Y78 P81 D85 V86 L87	D75-S83 WeakPolarHBondContact OD1-CB 3.23Å; Y78-S83 VanDerWaalsContact O-CB 3.3Å; Y78-S83 WeakPolarHBondContact O-CB 3.43Å; Y78-S83 PolarHBondContact O-OG 3.33Å; P81-S83 VanDerWaalsContact C-N 3.29Å; P81-S83 PolarHBondContact O-N 3.3Å; S83-D85 VanDerWaalsContact C-N 3.25Å; S83-D85 PolarHBondContact O-N 3.02Å; S83-D85 VanDerWaalsContact O-N 3.15Å; S83-V86 PolarHBondContact O-N 2.87Å; S83-V86 VanDerWaalsContact O-N 3.16Å; S83-L87 PolarHBondContact O-N 2.97Å
84	R	72.6	Confident	75.5	Confident	145 Å²	145	96.1 Å²	96.1	55%	0.547	49%	0.488	S	S	.	.	H	α-helix	trans	-52.8	-40.4	-175.6	-75.8	177.8	179.6	-169.1	0.4	113.5	F80 P81 V86 L87 I88	F80-R84 HydrophobicContact CD1-CG 4.21Å; F80-R84 HydrophobicContact CE1-CG 3.61Å; F80-R84 HydrophobicContact CZ-CG 4.27Å; P81-R84 WeakPolarHBondContact O-CG 3.14Å; R84-V86 PolarHBondContact O-N 2.65Å; R84-L87 PolarHBondContact O-N 3.4Å; R84-I88 VanDerWaalsContact O-CG1 3.27Å; R84-I88 WeakPolarHBondContact O-CG1 3.43Å; R84-I88 PolarHBondContact O-N 3.18Å
85	D	77.8	Confident	75.4	Confident	130 Å²	130	95.2 Å²	95.2	70%	0.695	49%	0.494	S	S	*	.	H	α-helix	trans	-66.8	-39.1	-175.9	-62.3	-25.1	0	0	0	112	S83 I88 A89	S83-D85 VanDerWaalsContact C-N 3.25Å; S83-D85 PolarHBondContact O-N 3.02Å; S83-D85 VanDerWaalsContact O-N 3.15Å; D85-I88 PolarHBondContact O-N 2.82Å; D85-A89 VanDerWaalsContact O-CB 3.31Å; D85-A89 WeakPolarHBondContact O-CB 3.45Å; D85-A89 PolarHBondContact O-N 2.82Å
86	V	77.7	Confident	75.4	Confident	41 Å²	41	99.1 Å²	99.1	25%	0.248	51%	0.509	C	S	.	.	H	α-helix	trans	-70.8	-41.4	178.6	-179.7	0	0	0	0	110.8	A71 W74 S83 R84 I88 A89 C90	A71-V86 HydrophobicContact CB-CG1 3.95Å; W74-V86 HydrophobicContact CG-CG2 4.25Å; S83-V86 PolarHBondContact O-N 2.87Å; S83-V86 VanDerWaalsContact O-N 3.16Å; R84-V86 PolarHBondContact O-N 2.65Å; V86-I88 VanDerWaalsContact C-N 3.27Å; V86-I88 PolarHBondContact O-N 2.93Å; V86-A89 PolarHBondContact O-N 3.49Å; V86-C90 PolarHBondContact O-N 2.92Å
87	L	74.1	Confident	75.3	Confident	84 Å²	84	90.8 Å²	90.8	44%	0.44	48%	0.479	S	S	.	.	H	α-helix	trans	-63.3	-32.4	176.8	-166.9	75.9	0	0	0	112.3	F80 S83 R84 P91	F80-L87 HydrophobicContact CE2-CD2 4.06Å; F80-L87 HydrophobicContact CZ-CD2 3.85Å; S83-L87 PolarHBondContact O-N 2.97Å; R84-L87 PolarHBondContact O-N 3.4Å; L87-P91 WeakPolarHBondContact O-CD 3.3Å; L87-P91 WeakPolarHBondContact O-CG 3.29Å
88	I	79.4	Confident	75.2	Confident	105 Å²	105	87.8 Å²	87.8	54%	0.538	47%	0.469	S	S	.	.	H	α-helix	trans	-78.8	-37.5	174.7	-66.7	166.1	0	0	0	111	R84 D85 V86 C90 P91 L92	R84-I88 VanDerWaalsContact O-CG1 3.27Å; R84-I88 WeakPolarHBondContact O-CG1 3.43Å; R84-I88 PolarHBondContact O-N 3.18Å; D85-I88 PolarHBondContact O-N 2.82Å; V86-I88 VanDerWaalsContact C-N 3.27Å; V86-I88 PolarHBondContact O-N 2.93Å; I88-C90 PolarHBondContact O-N 3.27Å; I88-P91 WeakPolarHBondContact O-CD 3.4Å; I88-L92 HydrophobicContact CG2-CD1 3.84Å; I88-L92 VanDerWaalsContact O-CG 3.3Å; I88-L92 WeakPolarHBondContact O-CG 3.44Å; I88-L92 PolarHBondContact O-N 3.44Å
89	A	80.5	Confident	75.3	Confident	41 Å²	41	88.8 Å²	88.8	34%	0.339	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-38	179.6	0	0	0	0	0	112.5	D85 V86 L92 L93	D85-A89 VanDerWaalsContact O-CB 3.31Å; D85-A89 WeakPolarHBondContact O-CB 3.45Å; D85-A89 PolarHBondContact O-N 2.82Å; V86-A89 PolarHBondContact O-N 3.49Å; A89-L92 PolarHBondContact O-N 3.1Å; A89-L93 WeakPolarHBondContact O-CG 3.17Å; A89-L93 PolarHBondContact O-N 3.15Å
90	C	80.5	Confident	75.7	Confident	56 Å²	56	85.9 Å²	85.9	38%	0.378	46%	0.456	S	S	.	.	H	α-helix	trans	-60.9	-50.1	-176.9	-179.6	0	0	0	0	113.5	V86 I88 L92 L93 Y94	V86-C90 PolarHBondContact O-N 2.92Å; I88-C90 PolarHBondContact O-N 3.27Å; C90-L92 VanDerWaalsContact C-N 3.28Å; C90-L92 PolarHBondContact O-N 3.41Å; C90-L93 PolarHBondContact O-N 2.99Å; C90-Y94 PolarHBondContact O-N 3.37Å
91	P	78.1	Confident	76.5	Confident	84 Å²	84	82.9 Å²	82.9	55%	0.545	45%	0.446	S	S	.	.	H	α-helix	trans	-65	-26.6	173.7	-21.6	31.1	0	0	0	114.3	L87 I88 P95	L87-P91 WeakPolarHBondContact O-CD 3.3Å; L87-P91 WeakPolarHBondContact O-CG 3.29Å; I88-P91 WeakPolarHBondContact O-CD 3.4Å; P91-P95 WeakPolarHBondContact O-CD 2.89Å
92	L	79.7	Confident	76.8	Confident	121 Å²	121	85.7 Å²	85.7	63%	0.634	45%	0.451	S	S	*	.	H	α-helix	trans	-76.3	-28.3	177.2	-69.2	174.8	0	0	0	112.4	I88 A89 C90 P95	I88-L92 HydrophobicContact CG2-CD1 3.84Å; I88-L92 VanDerWaalsContact O-CG 3.3Å; I88-L92 WeakPolarHBondContact O-CG 3.44Å; I88-L92 PolarHBondContact O-N 3.44Å; A89-L92 PolarHBondContact O-N 3.1Å; C90-L92 VanDerWaalsContact C-N 3.28Å; C90-L92 PolarHBondContact O-N 3.41Å; L92-P95 WeakPolarHBondContact O-CD 3.46Å; L92-P95 VanDerWaalsContact O-CG 3.31Å; L92-P95 WeakPolarHBondContact O-CG 3.31Å
93	L	78.4	Confident	76.9	Confident	84 Å²	84	86.5 Å²	86.5	44%	0.44	45%	0.446	S	S	.	.	H	α-helix	trans	-77.8	-29.5	173.7	-69.9	171.1	0	0	0	112.5	A89 C90 F96 E97	A89-L93 WeakPolarHBondContact O-CG 3.17Å; A89-L93 PolarHBondContact O-N 3.15Å; C90-L93 PolarHBondContact O-N 2.99Å; L93-F96 WeakPolarHBondContact O-CA 3.49Å; L93-F96 VanDerWaalsContact O-CB 3.29Å; L93-F96 WeakPolarHBondContact O-CB 3.41Å; L93-F96 PolarHBondContact O-N 2.94Å; L93-E97 PolarHBondContact O-N 3.26Å
94	Y	78.4	Confident	77	Confident	165 Å²	165	90 Å²	90	65%	0.647	46%	0.463	S	S	*	.	H	α-helix	trans	-51.3	-50.1	177.2	-176.6	-101.7	0	0	0	115.1	C90 F96 E97 A98	C90-Y94 PolarHBondContact O-N 3.37Å; Y94-F96 VanDerWaalsContact C-N 3.25Å; Y94-F96 PolarHBondContact O-N 3.43Å; Y94-E97 PolarHBondContact O-N 2.9Å; Y94-A98 PolarHBondContact O-N 3.02Å
95	P	77.7	Confident	76.6	Confident	73 Å²	73	85.3 Å²	85.3	47%	0.474	45%	0.452	S	S	.	.	H	α-helix	trans	-65.2	-29.4	176.7	25.5	-34.8	0	0	0	112.6	P91 L92 F99	P91-P95 WeakPolarHBondContact O-CD 2.89Å; L92-P95 WeakPolarHBondContact O-CD 3.46Å; L92-P95 VanDerWaalsContact O-CG 3.31Å; L92-P95 WeakPolarHBondContact O-CG 3.31Å; P95-F99 VanDerWaalsContact O-CB 3.3Å; P95-F99 WeakPolarHBondContact O-CB 3.27Å; P95-F99 PolarHBondContact O-N 3.39Å
96	F	80.8	Confident	76.2	Confident	132 Å²	132	82 Å²	82	58%	0.579	44%	0.442	S	S	*	.	H	α-helix	trans	-67.2	-42.8	176.2	-176.6	-98.7	0	0	0	111.1	L93 Y94 F99 V100	L93-F96 WeakPolarHBondContact O-CA 3.49Å; L93-F96 VanDerWaalsContact O-CB 3.29Å; L93-F96 WeakPolarHBondContact O-CB 3.41Å; L93-F96 PolarHBondContact O-N 2.94Å; Y94-F96 VanDerWaalsContact C-N 3.25Å; Y94-F96 PolarHBondContact O-N 3.43Å; F96-F99 PolarHBondContact O-N 2.89Å; F96-V100 HydrophobicContact CD1-CG2 4.27Å; F96-V100 HydrophobicContact CE1-CG2 3.96Å; F96-V100 HydrophobicContact CZ-CG2 4.13Å; F96-V100 VanDerWaalsContact O-CG2 3.27Å; F96-V100 WeakPolarHBondContact O-CG2 3.48Å; F96-V100 PolarHBondContact O-N 2.65Å
97	E	74.5	Confident	75.7	Confident	45 Å²	45	88.7 Å²	88.7	21%	0.21	46%	0.464	C	S	.	.	H	α-helix	trans	-65.8	-43.2	176.7	-69	147.2	-176.4	0	0	111.8	A64 L93 Y94 F99 V100 L101	A64-E97 HydrophobicContact CB-CG 4.39Å; L93-E97 PolarHBondContact O-N 3.26Å; Y94-E97 PolarHBondContact O-N 2.9Å; E97-F99 VanDerWaalsContact C-N 3.32Å; E97-F99 PolarHBondContact O-N 3.42Å; E97-V100 PolarHBondContact O-N 2.83Å; E97-L101 WeakPolarHBondContact O-CB 3.15Å; E97-L101 VanDerWaalsContact O-CG 3.26Å; E97-L101 WeakPolarHBondContact O-CG 2.91Å; E97-L101 PolarHBondContact O-N 2.89Å
98	A	78.5	Confident	75	Confident	41 Å²	41	91 Å²	91	34%	0.339	47%	0.471	S	S	.	.	H	α-helix	trans	-59.5	-44	174.6	0	0	0	0	0	111.5	Y94 L101 E102	Y94-A98 PolarHBondContact O-N 3.02Å; A98-L101 PolarHBondContact O-N 3.02Å; A98-E102 WeakPolarHBondContact O-CB 3.17Å; A98-E102 PolarHBondContact O-N 3.2Å
99	F	79.1	Confident	73.9	Confident	127 Å²	127	88.3 Å²	88.3	56%	0.557	46%	0.459	S	S	*	.	H	α-helix	trans	-62.7	-43.3	177.3	-173	-108.2	0	0	0	112.5	P95 F96 E97 E102 L103	P95-F99 VanDerWaalsContact O-CB 3.3Å; P95-F99 WeakPolarHBondContact O-CB 3.27Å; P95-F99 PolarHBondContact O-N 3.39Å; F96-F99 PolarHBondContact O-N 2.89Å; E97-F99 VanDerWaalsContact C-N 3.32Å; E97-F99 PolarHBondContact O-N 3.42Å; F99-E102 PolarHBondContact O-N 2.52Å; F99-L103 HydrophobicContact CD1-CD1 3.84Å; F99-L103 HydrophobicContact CD1-CG 4.41Å; F99-L103 HydrophobicContact CD2-CD1 4.27Å; F99-L103 HydrophobicContact CD2-CG 4.29Å; F99-L103 HydrophobicContact CE1-CD1 3.23Å; F99-L103 HydrophobicContact CE1-CG 4.19Å; F99-L103 HydrophobicContact CE2-CD1 3.72Å; F99-L103 HydrophobicContact CE2-CG 4.04Å; F99-L103 HydrophobicContact CG-CD1 4.34Å; F99-L103 HydrophobicContact CG-CG 4.49Å; F99-L103 HydrophobicContact CZ-CD1 3.19Å; F99-L103 HydrophobicContact CZ-CG 4.02Å; F99-L103 WeakPolarHBondContact O-CB 3.27Å; F99-L103 WeakPolarHBondContact O-CG 3.46Å; F99-L103 PolarHBondContact O-N 2.97Å
100	V	78	Confident	72.6	Confident	35 Å²	35	95 Å²	95	21%	0.212	48%	0.484	C	S	.	.	H	α-helix	trans	-65.1	-40.8	176.1	172.2	0	0	0	0	111.2	I60 F96 E97 E102 I104	I60-V100 HydrophobicContact CD1-CG1 4.31Å; I60-V100 HydrophobicContact CG2-CG1 4.42Å; F96-V100 HydrophobicContact CD1-CG2 4.27Å; F96-V100 HydrophobicContact CE1-CG2 3.96Å; F96-V100 HydrophobicContact CZ-CG2 4.13Å; F96-V100 VanDerWaalsContact O-CG2 3.27Å; F96-V100 WeakPolarHBondContact O-CG2 3.48Å; F96-V100 PolarHBondContact O-N 2.65Å; E97-V100 PolarHBondContact O-N 2.83Å; V100-E102 VanDerWaalsContact C-N 3.32Å; V100-E102 PolarHBondContact O-N 3.26Å; V100-I104 HydrophobicContact CG1-CD1 3.51Å; V100-I104 HydrophobicContact CG1-CG1 4.21Å; V100-I104 WeakPolarHBondContact O-CB 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.28Å; V100-I104 PolarHBondContact O-N 3.44Å; V100-I104 VanDerWaalsContact O-N 3.09Å
101	L	73.8	Confident	71.6	Confident	68 Å²	68	93.3 Å²	93.3	36%	0.356	48%	0.476	S	S	.	.	H	α-helix	trans	-69.5	-25	178.1	-75.4	173.4	0	0	0	113.7	I60 E97 A98 P105	I60-L101 HydrophobicContact CB-CD2 4.35Å; I60-L101 HydrophobicContact CG2-CD2 3.83Å; I60-L101 HydrophobicContact CG2-CG 4.22Å; E97-L101 WeakPolarHBondContact O-CB 3.15Å; E97-L101 VanDerWaalsContact O-CG 3.26Å; E97-L101 WeakPolarHBondContact O-CG 2.91Å; E97-L101 PolarHBondContact O-N 2.89Å; A98-L101 PolarHBondContact O-N 3.02Å; L101-P105 WeakPolarHBondContact O-CD 3.44Å; L101-P105 WeakPolarHBondContact O-CG 3.21Å
102	E	72.9	Confident	71.1	Confident	151 Å²	151	93.1 Å²	93.1	71%	0.706	47%	0.47	S	S	*	.	H	α-helix	trans	-91.4	-43.1	177.6	-166.8	153.9	-163.1	0	0	111.6	A98 F99 V100 A106	A98-E102 WeakPolarHBondContact O-CB 3.17Å; A98-E102 PolarHBondContact O-N 3.2Å; F99-E102 PolarHBondContact O-N 2.52Å; V100-E102 VanDerWaalsContact C-N 3.32Å; V100-E102 PolarHBondContact O-N 3.26Å; E102-A106 WeakPolarHBondContact O-CB 3.41Å; E102-A106 PolarHBondContact O-N 2.97Å
103	L	73.5	Confident	70.8	Confident	86 Å²	86	89.2 Å²	89.2	45%	0.45	45%	0.45	S	S	.	.	H	α-helix	trans	-70.9	-41.6	-179.7	-75.8	-167.6	0	0	0	114.1	F99 A106 Y107	F99-L103 HydrophobicContact CD1-CD1 3.84Å; F99-L103 HydrophobicContact CD1-CG 4.41Å; F99-L103 HydrophobicContact CD2-CD1 4.27Å; F99-L103 HydrophobicContact CD2-CG 4.29Å; F99-L103 HydrophobicContact CE1-CD1 3.23Å; F99-L103 HydrophobicContact CE1-CG 4.19Å; F99-L103 HydrophobicContact CE2-CD1 3.72Å; F99-L103 HydrophobicContact CE2-CG 4.04Å; F99-L103 HydrophobicContact CG-CD1 4.34Å; F99-L103 HydrophobicContact CG-CG 4.49Å; F99-L103 HydrophobicContact CZ-CD1 3.19Å; F99-L103 HydrophobicContact CZ-CG 4.02Å; F99-L103 WeakPolarHBondContact O-CB 3.27Å; F99-L103 WeakPolarHBondContact O-CG 3.46Å; F99-L103 PolarHBondContact O-N 2.97Å; L103-A106 PolarHBondContact O-N 3.27Å; L103-Y107 WeakPolarHBondContact O-CB 3.39Å; L103-Y107 PolarHBondContact O-N 3.05Å
104	I	70.5	Confident	70.7	Confident	75 Å²	75	87.3 Å²	87.3	39%	0.385	44%	0.438	S	S	.	.	H	α-helix	trans	-62.4	-50.9	-177.4	-69.3	179.5	0	0	0	109.8	I60 V100 F108	I60-I104 HydrophobicContact CD1-CD1 3.95Å; V100-I104 HydrophobicContact CG1-CD1 3.51Å; V100-I104 HydrophobicContact CG1-CG1 4.21Å; V100-I104 WeakPolarHBondContact O-CB 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.28Å; V100-I104 PolarHBondContact O-N 3.44Å; V100-I104 VanDerWaalsContact O-N 3.09Å; I104-F108 HydrophobicContact CG2-CD2 3.93Å; I104-F108 HydrophobicContact CG2-CE2 4.39Å; I104-F108 VanDerWaalsContact O-CB 3.3Å; I104-F108 WeakPolarHBondContact O-CB 3.1Å; I104-F108 VanDerWaalsContact O-CD2 3.29Å; I104-F108 WeakPolarHBondContact O-CD2 3.46Å; I104-F108 PolarHBondContact O-N 3.03Å
105	P	65.6	Low	70.5	Confident	48 Å²	48	79.4 Å²	79.4	31%	0.312	41%	0.407	S	S	.	.	H	α-helix	trans	-63.7	-46.3	172.4	-22.5	36.6	0	0	0	111.8	L101 Y107 F108 V109	L101-P105 WeakPolarHBondContact O-CD 3.44Å; L101-P105 WeakPolarHBondContact O-CG 3.21Å; P105-Y107 PolarHBondContact O-N 3.23Å; P105-F108 PolarHBondContact O-N 3.43Å; P105-V109 HydrophobicContact CB-CB 4.48Å; P105-V109 HydrophobicContact CB-CG2 3.91Å; P105-V109 WeakPolarHBondContact O-CA 3.33Å; P105-V109 WeakPolarHBondContact O-CB 2.94Å; P105-V109 WeakPolarHBondContact O-CG2 3.47Å; P105-V109 PolarHBondContact O-N 3.18Å
106	A	68.9	Low	70.5	Confident	60 Å²	60	77.1 Å²	77.1	50%	0.496	39%	0.39	S	S	.	.	H	α-helix	trans	-55.8	-41.4	-179.1	0	0	0	0	0	112.5	E102 L103	E102-A106 WeakPolarHBondContact O-CB 3.41Å; E102-A106 PolarHBondContact O-N 2.97Å; L103-A106 PolarHBondContact O-N 3.27Å
107	Y	66.4	Low	70.4	Confident	182 Å²	182	70.8 Å²	70.8	71%	0.714	36%	0.363	S	S	*	.	H	α-helix	trans	-76.2	-40.5	179.7	-168.6	-97.7	0	0	0	113.2	L103 P105	L103-Y107 WeakPolarHBondContact O-CB 3.39Å; L103-Y107 PolarHBondContact O-N 3.05Å; P105-Y107 PolarHBondContact O-N 3.23Å
108	F	60.9	Low	70.5	Confident	132 Å²	132	74 Å²	74	58%	0.579	37%	0.373	S	S	*	.	H	α-helix	trans	-87.5	-21.2	-179.1	-79.7	-86.6	0	0	0	114.1	I104 P105	I104-F108 HydrophobicContact CG2-CD2 3.93Å; I104-F108 HydrophobicContact CG2-CE2 4.39Å; I104-F108 VanDerWaalsContact O-CB 3.3Å; I104-F108 WeakPolarHBondContact O-CB 3.1Å; I104-F108 VanDerWaalsContact O-CD2 3.29Å; I104-F108 WeakPolarHBondContact O-CD2 3.46Å; I104-F108 PolarHBondContact O-N 3.03Å; P105-F108 PolarHBondContact O-N 3.43Å
109	V	54.7	Low	70.3	Confident	49 Å²	49	74.1 Å²	74.1	30%	0.297	37%	0.366	S	S	.	.			trans	-110.2	27.2	-170.4	-166.9	0	0	0	0	110.6	P105 G111 N112	P105-V109 HydrophobicContact CB-CB 4.48Å; P105-V109 HydrophobicContact CB-CG2 3.91Å; P105-V109 WeakPolarHBondContact O-CA 3.33Å; P105-V109 WeakPolarHBondContact O-CB 2.94Å; P105-V109 WeakPolarHBondContact O-CG2 3.47Å; P105-V109 PolarHBondContact O-N 3.18Å; V109-G111 CarbonylContact O-C 3.57Å; V109-G111 WeakPolarHBondContact O-CA 3.22Å; V109-G111 PolarHBondContact O-N 3.41Å; V109-N112 PolarHBondContact O-N 3.16Å
110	E	54.6	Low	69.8	Low	181 Å²	181	73.7 Å²	73.7	85%	0.846	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-11.7	165.8	-79	-170.4	162.3	0	0	113.4
111	G	59	Low	69.2	Low	21 Å²	21	74.4 Å²	74.4	22%	0.216	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-148.7	96.5	151.4	0	0	0	0	0	113.3	V109 I113 Y132	V109-G111 CarbonylContact O-C 3.57Å; V109-G111 WeakPolarHBondContact O-CA 3.22Å; V109-G111 PolarHBondContact O-N 3.41Å; G111-I113 VanDerWaalsContact C-N 3.25Å; G111-I113 WeakPolarHBondContact O-CA 3.42Å; G111-I113 WeakPolarHBondContact O-CG1 3.41Å; G111-I113 PolarHBondContact O-N 2.97Å; G111-Y132 WeakPolarHBondContact O-CB 3.36Å
112	N	67	Low	68.6	Low	79 Å²	79	76.9 Å²	76.9	42%	0.422	40%	0.399	S	S	.	.			trans	13.5	61.3	159.7	-68.3	-57.3	0	0	0	115.7	V109 F114 Y132 S133	V109-N112 PolarHBondContact O-N 3.16Å; N112-F114 PolarHBondContact O-N 3.06Å; N112-F114 VanDerWaalsContact O-N 3.1Å; N112-Y132 WeakPolarHBondContact O-CA 3.49Å; N112-Y132 WeakPolarHBondContact O-CB 3.32Å; N112-S133 VanDerWaalsContact CB-O 3.3Å; N112-S133 WeakPolarHBondContact CB-O 3.34Å; N112-S133 PolarHBondContact O-N 3.46Å
113	I	73.9	Confident	68.1	Low	40 Å²	40	76 Å²	76	21%	0.205	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	104	-176.2	-54	178.5	0	0	0	106.4	G111 L116 K130 F131	G111-I113 VanDerWaalsContact C-N 3.25Å; G111-I113 WeakPolarHBondContact O-CA 3.42Å; G111-I113 WeakPolarHBondContact O-CG1 3.41Å; G111-I113 PolarHBondContact O-N 2.97Å; I113-L116 HydrophobicContact CG2-CD1 4.37Å; I113-K130 HydrophobicContact CD1-CD 4.07Å; I113-K130 HydrophobicContact CG2-CB 4.42Å; I113-F131 WeakPolarHBondContact CA-O 3.4Å
114	F	76.8	Confident	67.6	Low	43 Å²	43	74.3 Å²	74.3	19%	0.189	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-27.5	179.6	71.1	-91	0	0	0	111.8	D34 V37 R38 N112 F131 L144	D34-F114 HydrophobicContact CB-CB 4.43Å; D34-F114 HydrophobicContact CB-CD1 4.43Å; D34-F114 HydrophobicContact CB-CD2 4.05Å; D34-F114 HydrophobicContact CB-CE2 4.41Å; D34-F114 HydrophobicContact CB-CG 4.06Å; D34-F114 VanDerWaalsContact O-CE2 3.27Å; D34-F114 WeakPolarHBondContact O-CE2 3.47Å; V37-F114 HydrophobicContact CB-CE2 4.24Å; V37-F114 HydrophobicContact CB-CZ 4.08Å; V37-F114 HydrophobicContact CG1-CE2 4.15Å; V37-F114 HydrophobicContact CG1-CZ 3.74Å; R38-F114 HydrophobicContact CB-CD2 4.47Å; R38-F114 HydrophobicContact CB-CE2 4.24Å; N112-F114 PolarHBondContact O-N 3.06Å; N112-F114 VanDerWaalsContact O-N 3.1Å; F114-F131 HydrophobicContact CD1-CB 4.37Å; F114-F131 WeakPolarHBondContact CD1-O 3.49Å; F114-F131 HydrophobicContact CE1-CB 3.63Å; F114-F131 HydrophobicContact CE2-CB 4.19Å; F114-F131 HydrophobicContact CZ-CB 3.52Å; F114-F131 HydrophobicContact CZ-CG 4.39Å; F114-F131 PolarHBondContact N-O 3.47Å; F114-F131 VanDerWaalsContact N-O 3.15Å; F114-L144 HydrophobicContact CE1-CD1 3.79Å; F114-L144 HydrophobicContact CZ-CD1 3.96Å
115	L	74.6	Confident	67.5	Low	0 Å²	0	72.7 Å²	72.7	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	123.3	178.9	177.9	66.7	0	0	0	111	R38 A41 E49 A117 F131	R38-L115 HydrophobicContact CB-CD2 4.45Å; R38-L115 HydrophobicContact CG-CD1 4.02Å; R38-L115 HydrophobicContact CG-CD2 4.4Å; A41-L115 HydrophobicContact CB-CD2 3.7Å; E49-L115 HydrophobicContact CG-CD1 3.6Å; L115-A117 HydrophobicContact CG-CB 4.41Å; L115-F131 HydrophobicContact CB-CB 4.07Å; L115-F131 HydrophobicContact CB-CD2 4.1Å; L115-F131 HydrophobicContact CB-CG 4.34Å; L115-F131 HydrophobicContact CD2-CD2 3.7Å; L115-F131 HydrophobicContact CD2-CE2 3.94Å; L115-F131 HydrophobicContact CD2-CG 4.21Å; L115-F131 HydrophobicContact CG-CD2 3.92Å; L115-F131 HydrophobicContact CG-CE2 4.46Å; L115-F131 PolarHBondContact O-N 2.82Å
116	L	77.4	Confident	68	Low	24 Å²	24	76.5 Å²	76.5	13%	0.126	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	105.9	169.3	-147.6	141.9	0	0	0	107.7	S50 L53 I113 T128 W129 K130	S50-L116 PolarHBondContact N-O 3Å; S50-L116 WeakPolarHBondContact OG-CB 3.3Å; S50-L116 WeakPolarHBondContact OG-CD2 3.49Å; S50-L116 PolarHBondContact OG-O 3.23Å; L53-L116 HydrophobicContact CD1-CB 4.44Å; L53-L116 HydrophobicContact CD1-CD1 3.41Å; L53-L116 VanDerWaalsContact CD1-CD1 3.41Å; L53-L116 HydrophobicContact CD1-CG 4.47Å; I113-L116 HydrophobicContact CG2-CD1 4.37Å; L116-T128 HydrophobicContact CD2-CG2 3.47Å; L116-T128 VanDerWaalsContact CD2-CG2 3.47Å; L116-T128 HydrophobicContact CG-CG2 4.27Å; L116-W129 CarbonylContact C-O 3.54Å; L116-W129 WeakPolarHBondContact CA-O 3.38Å; L116-K130 HydrophobicContact CD1-CD 4.47Å; L116-K130 HydrophobicContact CD1-CG 3.98Å; L116-K130 HydrophobicContact CG-CG 4.02Å
117	A	78.1	Confident	68.5	Low	0 Å²	0	73.9 Å²	73.9	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	143	-177	0	0	0	0	0	109.5	L47 S48 L115 W129 F131	L47-A117 HydrophobicContact CB-CB 3.6Å; L47-A117 HydrophobicContact CD1-CB 3.95Å; L47-A117 HydrophobicContact CD2-CB 4.24Å; L47-A117 HydrophobicContact CG-CB 4.14Å; S48-A117 CarbonylContact O-C 3.54Å; L115-A117 HydrophobicContact CG-CB 4.41Å; A117-W129 HydrophobicContact CB-CB 4.07Å; A117-W129 PolarHBondContact N-O 2.85Å; A117-W129 PolarHBondContact O-N 2.79Å; A117-F131 HydrophobicContact CB-CE2 4.24Å
118	R	77.4	Confident	69.1	Low	111 Å²	111	66.5 Å²	66.5	42%	0.419	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.2	179.3	-170.5	174.3	-77.3	164.9	-3.1	108.9	S48	S48-R118 WeakPolarHBondContact CB-O 3.08Å; S48-R118 PolarHBondContact N-O 3.38Å; S48-R118 PolarHBondContact O-N 3.36Å
119	E	72.9	Confident	70.1	Confident	44 Å²	44	60.2 Å²	60.2	21%	0.206	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122	175.1	-165.8	-165.7	157.8	0	0	107.8	L47 V127 W129	L47-E119 HydrophobicContact CD2-CB 3.72Å; L47-E119 HydrophobicContact CD2-CG 4.16Å; E119-V127 HydrophobicContact CB-CB 4.37Å; E119-V127 PolarHBondContact N-O 3.02Å; E119-V127 PolarHBondContact O-N 2.74Å; E119-W129 PolarHBondContact OE2-NE1 2.79Å
120	I	68.1	Low	71.5	Confident	119 Å²	119	61 Å²	61	61%	0.61	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	103.6	168.7	-56.6	175.7	0	0	0	106
121	K	67	Low	72.9	Confident	49 Å²	49	52.6 Å²	52.6	21%	0.213	29%	0.294	C	S	.	.			trans	-67.3	155.6	174.9	-68.2	-173.2	169	-173.3	0	110.4	D123 G124 S125 V127	K121-D123 PolarHBondContact O-N 3.17Å; K121-G124 WeakPolarHBondContact O-CA 3.39Å; K121-G124 PolarHBondContact O-N 3.14Å; K121-S125 WeakPolarHBondContact CB-O 3.2Å; K121-S125 PolarHBondContact N-O 2.83Å; K121-S125 VanDerWaalsContact N-O 3.14Å; K121-V127 HydrophobicContact CD-CG2 3.94Å; K121-V127 HydrophobicContact CG-CG2 4.33Å
122	A	60.4	Low	74.1	Confident	120 Å²	120	52.4 Å²	52.4	99%	0.992	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-29.5	177	0	0	0	0	0	113.6	G124	A122-G124 PolarHBondContact O-N 2.89Å
123	D	62.5	Low	74.9	Confident	133 Å²	133	48.7 Å²	48.7	71%	0.711	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	4.1	174.6	-177.4	53.3	0	0	0	114	K121 S125	K121-D123 PolarHBondContact O-N 3.17Å; D123-S125 PolarHBondContact O-N 3.2Å; D123-S125 PolarHBondContact OD2-OG 3.05Å
124	G	62.5	Low	75.3	Confident	51 Å²	51	49.6 Å²	49.6	53%	0.526	28%	0.275	S	S	.	.	S	Bend	trans	70.1	-4.4	-171.2	0	0	0	0	0	113.9	K121 A122 K126	K121-G124 WeakPolarHBondContact O-CA 3.39Å; K121-G124 PolarHBondContact O-N 3.14Å; A122-G124 PolarHBondContact O-N 2.89Å; G124-K126 PolarHBondContact O-N 2.86Å
125	S	69.8	Low	75.5	Confident	41 Å²	41	49 Å²	49	29%	0.287	27%	0.272	S	S	.	.			trans	-66.4	109.6	175.6	-77.2	0	0	0	0	111	K121 D123	K121-S125 WeakPolarHBondContact CB-O 3.2Å; K121-S125 PolarHBondContact N-O 2.83Å; K121-S125 VanDerWaalsContact N-O 3.14Å; D123-S125 PolarHBondContact O-N 3.2Å; D123-S125 PolarHBondContact OD2-OG 3.05Å
126	K	74.3	Confident	75.7	Confident	128 Å²	128	56.6 Å²	56.6	56%	0.557	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.1	176.6	-61.3	178.5	-175.8	176.9	0	110.3	G124	G124-K126 PolarHBondContact O-N 2.86Å
127	V	79.4	Confident	75.6	Confident	4 Å²	4	63.3 Å²	63.3	2%	0.024	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	129.4	172.6	-179.1	0	0	0	0	108	E119 K121 R148 A150	E119-V127 HydrophobicContact CB-CB 4.37Å; E119-V127 PolarHBondContact N-O 3.02Å; E119-V127 PolarHBondContact O-N 2.74Å; K121-V127 HydrophobicContact CD-CG2 3.94Å; K121-V127 HydrophobicContact CG-CG2 4.33Å; V127-R148 HydrophobicContact CG1-CG 3.7Å; V127-A150 HydrophobicContact CG2-CB 4.25Å
128	T	80.4	Confident	75.3	Confident	27 Å²	27	72.5 Å²	72.5	17%	0.166	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	125.1	178.6	-56.9	0	0	0	0	109	L116 L149	L116-T128 HydrophobicContact CD2-CG2 3.47Å; L116-T128 VanDerWaalsContact CD2-CG2 3.47Å; L116-T128 HydrophobicContact CG-CG2 4.27Å; T128-L149 PolarHBondContact N-O 2.74Å; T128-L149 WeakPolarHBondContact O-CA 3.28Å; T128-L149 WeakPolarHBondContact O-CB 3.45Å; T128-L149 PolarHBondContact O-N 3.47Å
129	W	81.8	Confident	75.3	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.8	176.5	-66.1	90.1	0	0	0	109.1	L47 L116 A117 E119 F131 V146 K147 R148 Y186 A189 V190	L47-W129 HydrophobicContact CD2-CG 4.29Å; L116-W129 CarbonylContact C-O 3.54Å; L116-W129 WeakPolarHBondContact CA-O 3.38Å; A117-W129 HydrophobicContact CB-CB 4.07Å; A117-W129 PolarHBondContact N-O 2.85Å; A117-W129 PolarHBondContact O-N 2.79Å; E119-W129 PolarHBondContact OE2-NE1 2.79Å; W129-F131 HydrophobicContact CB-CE2 3.89Å; W129-V146 HydrophobicContact CE3-CG1 3.59Å; W129-V146 HydrophobicContact CZ3-CG1 3.78Å; W129-K147 CarbonylContact C-O 3.56Å; W129-K147 WeakPolarHBondContact CA-O 3.24Å; W129-R148 HydrophobicContact CD2-CB 4.25Å; W129-R148 HydrophobicContact CD2-CG 4.04Å; W129-R148 HydrophobicContact CE3-CB 3.81Å; W129-R148 HydrophobicContact CE3-CG 4.05Å; W129-R148 HydrophobicContact CH2-CB 4.05Å; W129-R148 VanDerWaalsContact CH2-CD 3.42Å; W129-R148 HydrophobicContact CH2-CG 3.78Å; W129-R148 HydrophobicContact CZ2-CB 4.43Å; W129-R148 VanDerWaalsContact CZ2-CD 3.48Å; W129-R148 HydrophobicContact CZ2-CG 3.73Å; W129-R148 HydrophobicContact CZ3-CB 3.71Å; W129-R148 HydrophobicContact CZ3-CG 3.93Å; W129-Y186 HydrophobicContact CD2-CE2 4.35Å; W129-Y186 AromaticContact CE2-CE2 3.85Å; W129-Y186 HydrophobicContact CE3-CD2 4.44Å; W129-Y186 HydrophobicContact CE3-CE2 4.39Å; W129-Y186 AromaticContact CH2-CD2 3.65Å; W129-Y186 HydrophobicContact CH2-CD2 3.65Å; W129-Y186 AromaticContact CH2-CE2 3.4Å; W129-Y186 HydrophobicContact CH2-CE2 3.4Å; W129-Y186 VanDerWaalsContact CH2-CE2 3.4Å; W129-Y186 HydrophobicContact CH2-CG 4.49Å; W129-Y186 HydrophobicContact CZ2-CD2 4.11Å; W129-Y186 AromaticContact CZ2-CE2 3.37Å; W129-Y186 HydrophobicContact CZ2-CE2 3.37Å; W129-Y186 AromaticContact CZ2-CZ 3.87Å; W129-Y186 AromaticContact CZ3-CD2 3.85Å; W129-Y186 HydrophobicContact CZ3-CD2 3.85Å; W129-Y186 AromaticContact CZ3-CE2 3.95Å; W129-Y186 HydrophobicContact CZ3-CE2 3.95Å; W129-A189 HydrophobicContact CH2-CB 3.98Å; W129-A189 HydrophobicContact CZ3-CB 3.6Å; W129-V190 HydrophobicContact CH2-CG2 3.66Å; W129-V190 HydrophobicContact CZ2-CG2 3.95Å
130	K	83.9	Confident	75.6	Confident	66 Å²	66	70.5 Å²	70.5	29%	0.287	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	119.7	176.4	-68.6	176.5	174.9	-171.7	0	108.1	I113 L116 K147	I113-K130 HydrophobicContact CD1-CD 4.07Å; I113-K130 HydrophobicContact CG2-CB 4.42Å; L116-K130 HydrophobicContact CD1-CD 4.47Å; L116-K130 HydrophobicContact CD1-CG 3.98Å; L116-K130 HydrophobicContact CG-CG 4.02Å; K130-K147 HydrophobicContact CB-CB 4.02Å; K130-K147 PolarHBondContact N-O 2.71Å; K130-K147 PolarHBondContact O-N 2.77Å
131	F	83.3	Confident	76.4	Confident	4 Å²	4	68.7 Å²	68.7	2%	0.018	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	130	173.4	-58.8	-109.1	0	0	0	108.4	V37 A41 I113 F114 L115 A117 W129 T145 V146	V37-F131 HydrophobicContact CG1-CD1 4.45Å; A41-F131 HydrophobicContact CB-CE1 4.47Å; A41-F131 HydrophobicContact CB-CZ 4.25Å; I113-F131 WeakPolarHBondContact CA-O 3.4Å; F114-F131 HydrophobicContact CD1-CB 4.37Å; F114-F131 WeakPolarHBondContact CD1-O 3.49Å; F114-F131 HydrophobicContact CE1-CB 3.63Å; F114-F131 HydrophobicContact CE2-CB 4.19Å; F114-F131 HydrophobicContact CZ-CB 3.52Å; F114-F131 HydrophobicContact CZ-CG 4.39Å; F114-F131 PolarHBondContact N-O 3.47Å; F114-F131 VanDerWaalsContact N-O 3.15Å; L115-F131 HydrophobicContact CB-CB 4.07Å; L115-F131 HydrophobicContact CB-CD2 4.1Å; L115-F131 HydrophobicContact CB-CG 4.34Å; L115-F131 HydrophobicContact CD2-CD2 3.7Å; L115-F131 HydrophobicContact CD2-CE2 3.94Å; L115-F131 HydrophobicContact CD2-CG 4.21Å; L115-F131 HydrophobicContact CG-CD2 3.92Å; L115-F131 HydrophobicContact CG-CE2 4.46Å; L115-F131 PolarHBondContact O-N 2.82Å; A117-F131 HydrophobicContact CB-CE2 4.24Å; W129-F131 HydrophobicContact CB-CE2 3.89Å; F131-T145 WeakPolarHBondContact CA-O 3.49Å; F131-V146 HydrophobicContact CD1-CB 4.41Å; F131-V146 HydrophobicContact CD1-CG1 4.27Å; F131-V146 HydrophobicContact CD1-CG2 3.4Å; F131-V146 HydrophobicContact CE1-CB 4.42Å; F131-V146 HydrophobicContact CE1-CG1 3.95Å; F131-V146 HydrophobicContact CE1-CG2 3.53Å; F131-V146 HydrophobicContact CG-CG2 4.27Å; F131-V146 HydrophobicContact CZ-CG1 4.15Å
132	Y	84.7	Confident	77.2	Confident	18 Å²	18	66.3 Å²	66.3	7%	0.071	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.9	177.7	49.2	-73.9	0	0	0	109.8	G111 N112 T145 K147 E156	G111-Y132 WeakPolarHBondContact O-CB 3.36Å; N112-Y132 WeakPolarHBondContact O-CA 3.49Å; N112-Y132 WeakPolarHBondContact O-CB 3.32Å; Y132-T145 VanDerWaalsContact CD1-O 3.23Å; Y132-T145 WeakPolarHBondContact CD1-O 3.06Å; Y132-T145 HydrophobicContact CD2-CG2 4.26Å; Y132-T145 HydrophobicContact CE1-CG2 3.72Å; Y132-T145 WeakPolarHBondContact CE1-O 3.43Å; Y132-T145 HydrophobicContact CE2-CG2 3.35Å; Y132-T145 WeakPolarHBondContact CE2-OG1 3.48Å; Y132-T145 PolarHBondContact N-O 3.3Å; Y132-T145 PolarHBondContact O-N 3.28Å; Y132-T145 WeakPolarHBondContact OH-CG2 3.23Å; Y132-K147 HydrophobicContact CE1-CB 3.91Å; Y132-K147 HydrophobicContact CE1-CD 3.58Å; Y132-K147 HydrophobicContact CE1-CG 3.65Å; Y132-K147 VanDerWaalsContact OH-CD 3.24Å; Y132-K147 WeakPolarHBondContact OH-CD 3.33Å; Y132-K147 WeakPolarHBondContact OH-CE 3.07Å; Y132-K147 WeakPolarHBondContact OH-CG 3.33Å; Y132-K147 PolarHBondContact OH-NZ 3.46Å; Y132-E156 WeakPolarHBondContact OH-CG 3.11Å; Y132-E156 PolarHBondContact OH-OE1 2.93Å
133	S	84.8	Confident	78.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	131.8	178.1	79.6	0	0	0	0	111.3	K30 D34 N112 Y142 T143	K30-S133 WeakPolarHBondContact CE-O 3.31Å; K30-S133 WeakPolarHBondContact CE-OG 3.3Å; K30-S133 PolarHBondContact NZ-O 3.04Å; D34-S133 VanDerWaalsContact CG-OG 3.22Å; D34-S133 WeakPolarHBondContact OD1-CB 2.87Å; D34-S133 PolarHBondContact OD1-OG 3.41Å; D34-S133 PolarHBondContact OD2-OG 2.96Å; N112-S133 VanDerWaalsContact CB-O 3.3Å; N112-S133 WeakPolarHBondContact CB-O 3.34Å; N112-S133 PolarHBondContact O-N 3.46Å; S133-Y142 VanDerWaalsContact CB-CE2 3.47Å; S133-Y142 WeakPolarHBondContact CB-OH 2.99Å; S133-T143 WeakPolarHBondContact CA-O 3.41Å
134	T	82.3	Confident	79.5	Confident	60 Å²	60	56 Å²	56	37%	0.368	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.3	178.3	-58.3	0	0	0	0	108.7	T143	T134-T143 PolarHBondContact N-O 2.84Å; T134-T143 PolarHBondContact O-N 3.25Å
135	M	80.2	Confident	80.6	Confident	29 Å²	29	53.8 Å²	53.8	14%	0.143	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	127.3	175	-173	179.4	-177.6	0	0	106.9	K30 S139 Y142 I163	K30-M135 HydrophobicContact CB-SD 4.12Å; K30-M135 HydrophobicContact CD-CB 4.18Å; K30-M135 HydrophobicContact CG-CB 4.49Å; K30-M135 HydrophobicContact CG-SD 4.44Å; M135-S139 WeakPolarHBondContact CE-O 3.1Å; M135-Y142 HydrophobicContact CB-CD2 4.47Å; M135-I163 HydrophobicContact CE-CD1 3.99Å; M135-I163 HydrophobicContact CE-CG2 3.78Å; M135-I163 HydrophobicContact SD-CG2 4.31Å
136	K	78.3	Confident	81.3	Confident	160 Å²	160	52 Å²	52	70%	0.696	24%	0.244	S	C	*	.			trans	-75.2	148.8	177.7	-69.5	-179.9	-178.9	177.6	0	109.6	Y138 S139	K136-Y138 PolarHBondContact O-N 3.01Å; K136-S139 PolarHBondContact O-N 2.84Å; K136-S139 VanDerWaalsContact O-N 3.09Å
137	K	75.5	Confident	81.7	Confident	165 Å²	165	49.4 Å²	49.4	72%	0.717	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	126.3	172.8	-156.7	-176	-176.1	-167	0	108.9	S139	K137-S139 PolarHBondContact O-N 2.94Å
138	Y	71.5	Confident	81.7	Confident	194 Å²	194	49.7 Å²	49.7	76%	0.761	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.1	12.3	-178.3	-41.1	-70.6	0	0	0	116.4	K136	K136-Y138 PolarHBondContact O-N 3.01Å
139	S	77.9	Confident	81.6	Confident	32 Å²	32	52.4 Å²	52.4	22%	0.224	25%	0.246	C	C	.	.			trans	-101.2	138.6	169.5	-172.5	0	0	0	0	109.2	M135 K136 K137 M141	M135-S139 WeakPolarHBondContact CE-O 3.1Å; K136-S139 PolarHBondContact O-N 2.84Å; K136-S139 VanDerWaalsContact O-N 3.09Å; K137-S139 PolarHBondContact O-N 2.94Å; S139-M141 PolarHBondContact O-N 2.77Å; S139-M141 WeakPolarHBondContact OG-CB 3.35Å; S139-M141 PolarHBondContact OG-N 3.32Å
140	D	79.2	Confident	81.3	Confident	81 Å²	81	53.6 Å²	53.6	43%	0.433	26%	0.256	S	S	.	.			trans	-78.1	-4.7	170.4	68	-48.6	0	0	0	112.3	Y142 S162 I163	D140-Y142 PolarHBondContact O-N 3.17Å; D140-S162 CarbonylContact O-C 3.55Å; D140-S162 WeakPolarHBondContact O-CA 3.4Å; D140-S162 WeakPolarHBondContact OD2-CB 3.48Å; D140-S162 PolarHBondContact OD2-OG 2.76Å; D140-I163 HydrophobicContact CB-CD1 4.38Å; D140-I163 HydrophobicContact CB-CG1 4.1Å; D140-I163 WeakPolarHBondContact O-CG2 3.25Å; D140-I163 PolarHBondContact O-N 2.91Å
141	M	84.3	Confident	80.4	Confident	80 Å²	80	59.6 Å²	59.6	39%	0.394	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.3	-178.1	-62.7	-64.7	-87.4	0	0	110.8	S139 T160	S139-M141 PolarHBondContact O-N 2.77Å; S139-M141 WeakPolarHBondContact OG-CB 3.35Å; S139-M141 PolarHBondContact OG-N 3.32Å; M141-T160 HydrophobicContact CB-CG2 4.13Å; M141-T160 HydrophobicContact CE-CG2 3.67Å
142	Y	83.9	Confident	79.4	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.2	174.7	173.7	-83.7	0	0	0	109.3	K30 I33 D34 S133 M135 D140 L144 T160 K161 W166	K30-Y142 HydrophobicContact CG-CD2 4.09Å; K30-Y142 HydrophobicContact CG-CE2 3.81Å; I33-Y142 HydrophobicContact CB-CE2 4.48Å; I33-Y142 HydrophobicContact CG2-CD1 4.47Å; I33-Y142 HydrophobicContact CG2-CE1 3.8Å; I33-Y142 HydrophobicContact CG2-CE2 4.21Å; D34-Y142 WeakPolarHBondContact OD1-CE2 3.41Å; D34-Y142 PolarHBondContact OD1-OH 3.22Å; S133-Y142 VanDerWaalsContact CB-CE2 3.47Å; S133-Y142 WeakPolarHBondContact CB-OH 2.99Å; M135-Y142 HydrophobicContact CB-CD2 4.47Å; D140-Y142 PolarHBondContact O-N 3.17Å; Y142-L144 HydrophobicContact CD1-CB 4.42Å; Y142-L144 HydrophobicContact CE1-CB 3.81Å; Y142-L144 HydrophobicContact CE1-CD1 4.45Å; Y142-T160 WeakPolarHBondContact O-CA 3.48Å; Y142-K161 PolarHBondContact N-O 2.83Å; Y142-K161 PolarHBondContact O-N 3.09Å; Y142-K161 VanDerWaalsContact O-N 3.1Å; Y142-W166 HydrophobicContact CD1-CE3 4.22Å; Y142-W166 AromaticContact CD1-CH2 3.83Å; Y142-W166 HydrophobicContact CD1-CH2 3.83Å; Y142-W166 AromaticContact CD1-CZ3 3.38Å; Y142-W166 HydrophobicContact CD1-CZ3 3.38Å; Y142-W166 HydrophobicContact CE1-CH2 4.46Å; Y142-W166 HydrophobicContact CE1-CZ3 4.2Å; Y142-W166 HydrophobicContact CG-CZ3 4.05Å
143	T	85.7	Confident	78.6	Confident	33 Å²	33	69.9 Å²	69.9	20%	0.202	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	106	178.2	-58.5	0	0	0	0	108.9	S133 T134 N158 V159 T160	S133-T143 WeakPolarHBondContact CA-O 3.41Å; T134-T143 PolarHBondContact N-O 2.84Å; T134-T143 PolarHBondContact O-N 3.25Å; T143-N158 HydrophobicContact CG2-CB 4.23Å; T143-V159 CarbonylContact C-O 3.54Å; T143-V159 WeakPolarHBondContact CA-O 3.4Å; T143-T160 WeakPolarHBondContact CG2-OG1 3.43Å; T143-T160 WeakPolarHBondContact OG1-CG2 3.34Å; T143-T160 PolarHBondContact OG1-OG1 3.29Å
144	L	85.6	Confident	78.1	Confident	3 Å²	3	73.8 Å²	73.8	2%	0.016	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.8	169.6	-176.9	63.4	0	0	0	108.6	V37 F114 Y142 N158 V159 V182 L185	V37-L144 HydrophobicContact CG1-CD1 4.37Å; V37-L144 HydrophobicContact CG1-CD2 4.14Å; V37-L144 HydrophobicContact CG2-CD2 4.16Å; F114-L144 HydrophobicContact CE1-CD1 3.79Å; F114-L144 HydrophobicContact CZ-CD1 3.96Å; Y142-L144 HydrophobicContact CD1-CB 4.42Å; Y142-L144 HydrophobicContact CE1-CB 3.81Å; Y142-L144 HydrophobicContact CE1-CD1 4.45Å; L144-N158 CarbonylContact O-C 3.55Å; L144-N158 WeakPolarHBondContact O-CA 3.48Å; L144-V159 HydrophobicContact CB-CG1 3.91Å; L144-V159 PolarHBondContact N-O 2.89Å; L144-V159 PolarHBondContact O-N 3.32Å; L144-V182 HydrophobicContact CD2-CG2 4.2Å; L144-L185 HydrophobicContact CB-CD2 4.45Å; L144-L185 HydrophobicContact CD2-CD2 3.72Å; L144-L185 HydrophobicContact CG-CD2 3.88Å
145	T	85.2	Confident	77.9	Confident	5 Å²	5	72.4 Å²	72.4	3%	0.031	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	137.4	177.9	-42.7	0	0	0	0	110.8	F131 Y132 E156 V157 N158	F131-T145 WeakPolarHBondContact CA-O 3.49Å; Y132-T145 VanDerWaalsContact CD1-O 3.23Å; Y132-T145 WeakPolarHBondContact CD1-O 3.06Å; Y132-T145 HydrophobicContact CD2-CG2 4.26Å; Y132-T145 HydrophobicContact CE1-CG2 3.72Å; Y132-T145 WeakPolarHBondContact CE1-O 3.43Å; Y132-T145 HydrophobicContact CE2-CG2 3.35Å; Y132-T145 WeakPolarHBondContact CE2-OG1 3.48Å; Y132-T145 PolarHBondContact N-O 3.3Å; Y132-T145 PolarHBondContact O-N 3.28Å; Y132-T145 WeakPolarHBondContact OH-CG2 3.23Å; T145-E156 HydrophobicContact CG2-CG 3.71Å; T145-V157 WeakPolarHBondContact CA-O 3.39Å; T145-V157 VanDerWaalsContact CG2-O 3.25Å; T145-V157 WeakPolarHBondContact CG2-O 3.45Å; T145-N158 HydrophobicContact CG2-CB 3.72Å
146	V	84.4	Confident	78	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.012	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	119	-177.6	-178.6	0	0	0	0	108.4	W129 F131 V157 L185	W129-V146 HydrophobicContact CE3-CG1 3.59Å; W129-V146 HydrophobicContact CZ3-CG1 3.78Å; F131-V146 HydrophobicContact CD1-CB 4.41Å; F131-V146 HydrophobicContact CD1-CG1 4.27Å; F131-V146 HydrophobicContact CD1-CG2 3.4Å; F131-V146 HydrophobicContact CE1-CB 4.42Å; F131-V146 HydrophobicContact CE1-CG1 3.95Å; F131-V146 HydrophobicContact CE1-CG2 3.53Å; F131-V146 HydrophobicContact CG-CG2 4.27Å; F131-V146 HydrophobicContact CZ-CG1 4.15Å; V146-V157 PolarHBondContact N-O 3.23Å; V146-V157 PolarHBondContact O-N 2.77Å; V146-L185 HydrophobicContact CB-CD2 4.3Å; V146-L185 HydrophobicContact CB-CG 4.34Å; V146-L185 HydrophobicContact CG2-CD2 3.4Å; V146-L185 VanDerWaalsContact CG2-CD2 3.4Å; V146-L185 HydrophobicContact CG2-CG 3.87Å
147	K	82.9	Confident	78.3	Confident	75 Å²	75	68.5 Å²	68.5	33%	0.326	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.3	173.5	-95.1	170.5	173.1	139.9	0	109.6	W129 K130 Y132 Q155 E156	W129-K147 CarbonylContact C-O 3.56Å; W129-K147 WeakPolarHBondContact CA-O 3.24Å; K130-K147 HydrophobicContact CB-CB 4.02Å; K130-K147 PolarHBondContact N-O 2.71Å; K130-K147 PolarHBondContact O-N 2.77Å; Y132-K147 HydrophobicContact CE1-CB 3.91Å; Y132-K147 HydrophobicContact CE1-CD 3.58Å; Y132-K147 HydrophobicContact CE1-CG 3.65Å; Y132-K147 VanDerWaalsContact OH-CD 3.24Å; Y132-K147 WeakPolarHBondContact OH-CD 3.33Å; Y132-K147 WeakPolarHBondContact OH-CE 3.07Å; Y132-K147 WeakPolarHBondContact OH-CG 3.33Å; Y132-K147 PolarHBondContact OH-NZ 3.46Å; K147-Q155 CarbonylContact C-O 3.58Å; K147-Q155 WeakPolarHBondContact CA-O 3.38Å; K147-E156 WeakPolarHBondContact CE-OE2 2.8Å; K147-E156 HydrophobicContact CG-CB 3.93Å; K147-E156 HydrophobicContact CG-CG 4.1Å; K147-E156 VanDerWaalsContact NZ-CD 3.35Å; K147-E156 IonicContact NZ-OE1 3.06Å; K147-E156 PolarHBondContact NZ-OE1 3.02Å; K147-E156 IonicContact NZ-OE2 2.88Å; K147-E156 PolarHBondContact NZ-OE2 3.07Å
148	R	80.7	Confident	78.7	Confident	10 Å²	10	65.5 Å²	65.5	4%	0.038	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	106.3	171.3	-174.5	-176.2	177	-98.3	-24.2	108.7	V127 W129 S154 Q155 A189	V127-R148 HydrophobicContact CG1-CG 3.7Å; W129-R148 HydrophobicContact CD2-CB 4.25Å; W129-R148 HydrophobicContact CD2-CG 4.04Å; W129-R148 HydrophobicContact CE3-CB 3.81Å; W129-R148 HydrophobicContact CE3-CG 4.05Å; W129-R148 HydrophobicContact CH2-CB 4.05Å; W129-R148 VanDerWaalsContact CH2-CD 3.42Å; W129-R148 HydrophobicContact CH2-CG 3.78Å; W129-R148 HydrophobicContact CZ2-CB 4.43Å; W129-R148 VanDerWaalsContact CZ2-CD 3.48Å; W129-R148 HydrophobicContact CZ2-CG 3.73Å; W129-R148 HydrophobicContact CZ3-CB 3.71Å; W129-R148 HydrophobicContact CZ3-CG 3.93Å; R148-S154 WeakPolarHBondContact O-CA 3.24Å; R148-Q155 HydrophobicContact CB-CB 4.49Å; R148-Q155 PolarHBondContact N-O 3.11Å; R148-Q155 PolarHBondContact O-N 3.13Å; R148-A189 WeakPolarHBondContact CD-O 3.17Å
149	L	78.2	Confident	79.4	Confident	84 Å²	84	57.7 Å²	57.7	44%	0.44	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	102.3	177.2	-152.1	81.6	0	0	0	109.6	T128	T128-L149 PolarHBondContact N-O 2.74Å; T128-L149 WeakPolarHBondContact O-CA 3.28Å; T128-L149 WeakPolarHBondContact O-CB 3.45Å; T128-L149 PolarHBondContact O-N 3.47Å
150	A	74.1	Confident	79.7	Confident	25 Å²	25	59.1 Å²	59.1	21%	0.207	30%	0.302	C	S	.	.			trans	-99.8	159.8	166.3	0	0	0	0	0	110	V127 K152 D153	V127-A150 HydrophobicContact CG2-CB 4.25Å; A150-K152 PolarHBondContact O-N 3.24Å; A150-D153 WeakPolarHBondContact CA-O 2.91Å; A150-D153 WeakPolarHBondContact CB-O 3.45Å; A150-D153 PolarHBondContact N-O 3.03Å; A150-D153 PolarHBondContact O-N 3Å
151	K	65	Low	80	Confident	192 Å²	192	58.2 Å²	58.2	84%	0.835	29%	0.294	S	S	*	.	S	Bend	trans	-49	-34.2	-176.6	-83.5	-175.2	176.9	176.5	0	115
152	K	64.1	Low	80.1	Confident	212 Å²	212	56.1 Å²	56.1	92%	0.922	29%	0.288	S	S	*	.	S	Bend	trans	-117.8	-8.2	-176.7	-77.1	-175.1	174.3	-179.9	0	113.9	A150	A150-K152 PolarHBondContact O-N 3.24Å
153	D	67.1	Low	79.9	Confident	25 Å²	25	57.4 Å²	57.4	13%	0.134	29%	0.294	C	S	.	.			trans	-145.1	121.9	-169.5	-177.3	35.6	0	0	0	109.9	A150 Q155 L194	A150-D153 WeakPolarHBondContact CA-O 2.91Å; A150-D153 WeakPolarHBondContact CB-O 3.45Å; A150-D153 PolarHBondContact N-O 3.03Å; A150-D153 PolarHBondContact O-N 3Å; D153-Q155 PolarHBondContact OD1-NE2 2.82Å; D153-Q155 WeakPolarHBondContact OD2-CG 3.23Å; D153-L194 HydrophobicContact CB-CD1 3.83Å; D153-L194 VanDerWaalsContact CG-CD1 3.49Å
154	S	73.5	Confident	79.5	Confident	83 Å²	83	58.4 Å²	58.4	58%	0.58	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.1	176.4	59.3	0	0	0	0	108.7	R148	R148-S154 WeakPolarHBondContact O-CA 3.24Å
155	Q	78.6	Confident	79.1	Confident	30 Å²	30	61.4 Å²	61.4	14%	0.14	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	136.9	179.2	-64.7	-62.3	-32.9	0	0	109.9	K147 R148 D153 K192	K147-Q155 CarbonylContact C-O 3.58Å; K147-Q155 WeakPolarHBondContact CA-O 3.38Å; R148-Q155 HydrophobicContact CB-CB 4.49Å; R148-Q155 PolarHBondContact N-O 3.11Å; R148-Q155 PolarHBondContact O-N 3.13Å; D153-Q155 PolarHBondContact OD1-NE2 2.82Å; D153-Q155 WeakPolarHBondContact OD2-CG 3.23Å; Q155-K192 VanDerWaalsContact OE1-CE 3.28Å
156	E	81.4	Confident	78.8	Confident	91 Å²	91	61.3 Å²	61.3	43%	0.425	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.1	176.4	174.3	170.6	-173.9	0	0	108.3	Y132 T145 K147	Y132-E156 WeakPolarHBondContact OH-CG 3.11Å; Y132-E156 PolarHBondContact OH-OE1 2.93Å; T145-E156 HydrophobicContact CG2-CG 3.71Å; K147-E156 WeakPolarHBondContact CE-OE2 2.8Å; K147-E156 HydrophobicContact CG-CB 3.93Å; K147-E156 HydrophobicContact CG-CG 4.1Å; K147-E156 VanDerWaalsContact NZ-CD 3.35Å; K147-E156 IonicContact NZ-OE1 3.06Å; K147-E156 PolarHBondContact NZ-OE1 3.02Å; K147-E156 IonicContact NZ-OE2 2.88Å; K147-E156 PolarHBondContact NZ-OE2 3.07Å
157	V	85	Confident	78.4	Confident	17 Å²	17	62.2 Å²	62.2	10%	0.103	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128.5	174.3	-167.4	0	0	0	0	108.3	T145 V146 L185 M188 A189	T145-V157 WeakPolarHBondContact CA-O 3.39Å; T145-V157 VanDerWaalsContact CG2-O 3.25Å; T145-V157 WeakPolarHBondContact CG2-O 3.45Å; V146-V157 PolarHBondContact N-O 3.23Å; V146-V157 PolarHBondContact O-N 2.77Å; V157-L185 HydrophobicContact CB-CD1 3.99Å; V157-L185 HydrophobicContact CG1-CD1 3.59Å; V157-M188 HydrophobicContact CG1-CB 4.03Å; V157-M188 HydrophobicContact CG1-CE 4.1Å; V157-M188 HydrophobicContact CG1-SD 4.34Å; V157-M188 HydrophobicContact CG2-CB 4.42Å; V157-A189 HydrophobicContact CG2-CB 3.95Å
158	N	84.5	Confident	78.2	Confident	102 Å²	102	62 Å²	62	55%	0.545	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	147.7	176.6	55.9	-2.7	0	0	0	110.9	T143 L144 T145	T143-N158 HydrophobicContact CG2-CB 4.23Å; L144-N158 CarbonylContact O-C 3.55Å; L144-N158 WeakPolarHBondContact O-CA 3.48Å; T145-N158 HydrophobicContact CG2-CB 3.72Å
159	V	85.6	Confident	77.7	Confident	29 Å²	29	70.1 Å²	70.1	18%	0.176	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.5	166.6	64.4	0	0	0	0	107.7	T143 L144 K161 L185	T143-V159 CarbonylContact C-O 3.54Å; T143-V159 WeakPolarHBondContact CA-O 3.4Å; L144-V159 HydrophobicContact CB-CG1 3.91Å; L144-V159 PolarHBondContact N-O 2.89Å; L144-V159 PolarHBondContact O-N 3.32Å; V159-K161 HydrophobicContact CG2-CG 4.23Å; V159-L185 HydrophobicContact CB-CD1 4.12Å; V159-L185 HydrophobicContact CG1-CD1 4.1Å; V159-L185 HydrophobicContact CG1-CD2 3.79Å
160	T	85.6	Confident	77.3	Confident	62 Å²	62	71.7 Å²	71.7	38%	0.38	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	121.3	175	-55.2	0	0	0	0	108.4	M141 Y142 T143	M141-T160 HydrophobicContact CB-CG2 4.13Å; M141-T160 HydrophobicContact CE-CG2 3.67Å; Y142-T160 WeakPolarHBondContact O-CA 3.48Å; T143-T160 WeakPolarHBondContact CG2-OG1 3.43Å; T143-T160 WeakPolarHBondContact OG1-CG2 3.34Å; T143-T160 PolarHBondContact OG1-OG1 3.29Å
161	K	85.5	Confident	77	Confident	63 Å²	63	70.6 Å²	70.6	27%	0.274	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	164	171.6	-61.8	-171.4	-178	179.7	0	110.3	Y142 V159 T165 W166 D181	Y142-K161 PolarHBondContact N-O 2.83Å; Y142-K161 PolarHBondContact O-N 3.09Å; Y142-K161 VanDerWaalsContact O-N 3.1Å; V159-K161 HydrophobicContact CG2-CG 4.23Å; K161-T165 HydrophobicContact CD-CG2 4.32Å; K161-W166 HydrophobicContact CB-CH2 3.58Å; K161-W166 HydrophobicContact CB-CZ2 3.88Å; K161-W166 HydrophobicContact CB-CZ3 4.01Å; K161-W166 HydrophobicContact CD-CH2 4.43Å; K161-W166 HydrophobicContact CD-CZ2 3.89Å; K161-W166 HydrophobicContact CG-CH2 4.19Å; K161-W166 HydrophobicContact CG-CZ2 4.13Å; K161-D181 IonicContact NZ-OD1 2.69Å; K161-D181 PolarHBondContact NZ-OD1 3.1Å; K161-D181 IonicContact NZ-OD2 2.73Å; K161-D181 PolarHBondContact NZ-OD2 3.49Å
162	S	84.7	Confident	77.5	Confident	36 Å²	36	64.6 Å²	64.6	25%	0.252	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	139.6	173.1	-179.7	0	0	0	0	110.4	D140 G164 T165	D140-S162 CarbonylContact O-C 3.55Å; D140-S162 WeakPolarHBondContact O-CA 3.4Å; D140-S162 WeakPolarHBondContact OD2-CB 3.48Å; D140-S162 PolarHBondContact OD2-OG 2.76Å; S162-G164 PolarHBondContact O-N 3.01Å; S162-G164 VanDerWaalsContact O-N 3.11Å; S162-T165 WeakPolarHBondContact O-CB 3.25Å; S162-T165 PolarHBondContact O-N 2.99Å; S162-T165 PolarHBondContact O-OG1 2.88Å
163	I	80.9	Confident	78.1	Confident	27 Å²	27	54.9 Å²	54.9	14%	0.138	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-52.4	-31	175.3	56.3	174.5	0	0	0	112.5	I29 I33 M135 D140 T165 W166 V167	I29-I163 HydrophobicContact CD1-CD1 4.5Å; I29-I163 HydrophobicContact CG2-CB 4.4Å; I29-I163 HydrophobicContact CG2-CG2 4.41Å; I33-I163 HydrophobicContact CD1-CB 4.45Å; I33-I163 HydrophobicContact CD1-CG2 4.11Å; M135-I163 HydrophobicContact CE-CD1 3.99Å; M135-I163 HydrophobicContact CE-CG2 3.78Å; M135-I163 HydrophobicContact SD-CG2 4.31Å; D140-I163 HydrophobicContact CB-CD1 4.38Å; D140-I163 HydrophobicContact CB-CG1 4.1Å; D140-I163 WeakPolarHBondContact O-CG2 3.25Å; D140-I163 PolarHBondContact O-N 2.91Å; I163-T165 PolarHBondContact O-N 2.78Å; I163-T165 VanDerWaalsContact O-N 3.13Å; I163-W166 PolarHBondContact O-N 3.38Å; I163-W166 VanDerWaalsContact O-N 3.07Å; I163-V167 PolarHBondContact O-N 2.5Å
164	G	77.1	Confident	78.7	Confident	54 Å²	54	55.1 Å²	55.1	56%	0.557	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-66.4	-11.8	178.5	0	0	0	0	0	114.2	S162	S162-G164 PolarHBondContact O-N 3.01Å; S162-G164 VanDerWaalsContact O-N 3.11Å
165	T	77.4	Confident	79	Confident	66 Å²	66	52.6 Å²	52.6	41%	0.405	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-77.2	-30.3	173.2	-52.3	0	0	0	0	111.9	K161 S162 I163 V177	K161-T165 HydrophobicContact CD-CG2 4.32Å; S162-T165 WeakPolarHBondContact O-CB 3.25Å; S162-T165 PolarHBondContact O-N 2.99Å; S162-T165 PolarHBondContact O-OG1 2.88Å; I163-T165 PolarHBondContact O-N 2.78Å; I163-T165 VanDerWaalsContact O-N 3.13Å; T165-V177 HydrophobicContact CG2-CG1 4.3Å
166	W	78.1	Confident	79.1	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.008	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-13.8	-176.4	-60.1	-55.6	0	0	0	113.3	I33 Y142 K161 I163 V173 A174 L178 D181	I33-W166 HydrophobicContact CD1-CE3 4.38Å; Y142-W166 HydrophobicContact CD1-CE3 4.22Å; Y142-W166 AromaticContact CD1-CH2 3.83Å; Y142-W166 HydrophobicContact CD1-CH2 3.83Å; Y142-W166 AromaticContact CD1-CZ3 3.38Å; Y142-W166 HydrophobicContact CD1-CZ3 3.38Å; Y142-W166 HydrophobicContact CE1-CH2 4.46Å; Y142-W166 HydrophobicContact CE1-CZ3 4.2Å; Y142-W166 HydrophobicContact CG-CZ3 4.05Å; K161-W166 HydrophobicContact CB-CH2 3.58Å; K161-W166 HydrophobicContact CB-CZ2 3.88Å; K161-W166 HydrophobicContact CB-CZ3 4.01Å; K161-W166 HydrophobicContact CD-CH2 4.43Å; K161-W166 HydrophobicContact CD-CZ2 3.89Å; K161-W166 HydrophobicContact CG-CH2 4.19Å; K161-W166 HydrophobicContact CG-CZ2 4.13Å; I163-W166 PolarHBondContact O-N 3.38Å; I163-W166 VanDerWaalsContact O-N 3.07Å; W166-V173 CarbonylContact O-C 3.51Å; W166-V173 WeakPolarHBondContact O-CA 3.36Å; W166-A174 PolarHBondContact O-N 3.01Å; W166-L178 HydrophobicContact CD2-CD1 4.04Å; W166-L178 HydrophobicContact CG-CD1 3.88Å; W166-D181 PolarHBondContact NE1-OD2 3.21Å
167	V	77.2	Confident	79.2	Confident	22 Å²	22	57 Å²	57	13%	0.133	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-116.9	120.8	-177.9	-174.4	0	0	0	0	109.4	I29 I33 I163 H172	I29-V167 HydrophobicContact CG2-CG2 3.82Å; I33-V167 HydrophobicContact CD1-CG2 4.03Å; I33-V167 HydrophobicContact CG1-CG2 4.25Å; I163-V167 PolarHBondContact O-N 2.5Å; V167-H172 CarbonylContact C-O 3.59Å; V167-H172 WeakPolarHBondContact CA-O 3.37Å
168	T	76.8	Confident	79.2	Confident	69 Å²	69	56.2 Å²	56.2	42%	0.423	32%	0.317	S	S	.	.			trans	-68.7	157.7	173.8	-48.6	0	0	0	0	110.5	D170 G171 H172	T168-D170 PolarHBondContact O-N 3.18Å; T168-G171 PolarHBondContact O-N 2.88Å; T168-H172 PolarHBondContact N-O 2.91Å; T168-H172 PolarHBondContact OG1-O 3.48Å
169	E	70.4	Confident	79.2	Confident	182 Å²	182	52 Å²	52	85%	0.85	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-27.5	-179.1	-63.3	-172.8	170.1	0	0	114	G171	E169-G171 VanDerWaalsContact C-N 3.25Å; E169-G171 PolarHBondContact O-N 2.86Å
170	D	70.3	Confident	79.3	Confident	117 Å²	117	58.3 Å²	58.3	63%	0.626	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-2.3	176.7	-62.9	-55.1	0	0	0	114.5	T168 H172	T168-D170 PolarHBondContact O-N 3.18Å; D170-H172 VanDerWaalsContact CB-CD2 3.4Å; D170-H172 WeakPolarHBondContact CB-CD2 3.47Å
171	G	68	Low	79.3	Confident	2 Å²	2	56.6 Å²	56.6	2%	0.021	31%	0.309	C	S	.	.	S	Bend	trans	82.6	17.6	-175.9	0	0	0	0	0	114.1	A21 T168 E169	A21-G171 PolarHBondContact N-O 3.43Å; A21-G171 VanDerWaalsContact N-O 3.17Å; T168-G171 PolarHBondContact O-N 2.88Å; E169-G171 VanDerWaalsContact C-N 3.25Å; E169-G171 PolarHBondContact O-N 2.86Å
172	H	75.4	Confident	79.2	Confident	65 Å²	65	53.7 Å²	53.7	30%	0.301	30%	0.297	S	S	.	.	B	Isolated β-bridge	trans	-88.3	135.3	176.2	-62.8	-54	0	0	0	111.1	I18 V167 T168 D170 A174	I18-H172 VanDerWaalsContact CG2-CE1 3.43Å; I18-H172 WeakPolarHBondContact CG2-CE1 3.45Å; I18-H172 WeakPolarHBondContact CG2-ND1 3.34Å; V167-H172 CarbonylContact C-O 3.59Å; V167-H172 WeakPolarHBondContact CA-O 3.37Å; T168-H172 PolarHBondContact N-O 2.91Å; T168-H172 PolarHBondContact OG1-O 3.48Å; D170-H172 VanDerWaalsContact CB-CD2 3.4Å; D170-H172 WeakPolarHBondContact CB-CD2 3.47Å; H172-A174 PolarHBondContact O-N 3.47Å
173	V	77.2	Confident	79.3	Confident	8 Å²	8	56 Å²	56	5%	0.048	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-80.7	116.4	174.1	-176.5	0	0	0	0	109.3	A32 A36 W166 T175 L178	A32-V173 HydrophobicContact CB-CG2 4.04Å; A36-V173 HydrophobicContact CB-CG1 3.83Å; W166-V173 CarbonylContact O-C 3.51Å; W166-V173 WeakPolarHBondContact O-CA 3.36Å; V173-T175 VanDerWaalsContact C-N 3.35Å; V173-T175 PolarHBondContact O-N 3.36Å; V173-L178 HydrophobicContact CG1-CD2 4.05Å
174	A	80.3	Confident	79.5	Confident	30 Å²	30	57.6 Å²	57.6	25%	0.248	32%	0.316	C	S	.	.			trans	-73.7	85.7	175.1	0	0	0	0	0	110.2	W166 H172 E176 V177 L178	W166-A174 PolarHBondContact O-N 3.01Å; H172-A174 PolarHBondContact O-N 3.47Å; A174-E176 PolarHBondContact O-N 2.85Å; A174-V177 HydrophobicContact CB-CG2 4.34Å; A174-V177 PolarHBondContact O-N 2.89Å; A174-L178 PolarHBondContact O-N 3.35Å
175	T	78.3	Confident	79.9	Confident	30 Å²	30	55.1 Å²	55.1	18%	0.184	29%	0.29	C	S	.	.	H	α-helix	trans	-59.2	-30.6	-176.5	45.7	0	0	0	0	114	S17 V173 S179	S17-T175 VanDerWaalsContact CB-CG2 3.46Å; S17-T175 VanDerWaalsContact OG-CG2 3.22Å; S17-T175 WeakPolarHBondContact OG-CG2 3.34Å; S17-T175 PolarHBondContact OG-OG1 3.43Å; V173-T175 VanDerWaalsContact C-N 3.35Å; V173-T175 PolarHBondContact O-N 3.36Å; T175-S179 WeakPolarHBondContact O-CB 3.38Å; T175-S179 PolarHBondContact O-N 2.89Å
176	E	82.1	Confident	80.1	Confident	152 Å²	152	53.5 Å²	53.5	71%	0.71	28%	0.277	S	S	*	.	H	α-helix	trans	-66.5	-47.3	178.7	-63.9	-57.8	150.7	0	0	112.8	A174 L178 S179 K180	A174-E176 PolarHBondContact O-N 2.85Å; E176-L178 VanDerWaalsContact C-N 3.33Å; E176-S179 PolarHBondContact O-N 2.83Å; E176-K180 PolarHBondContact O-N 3.15Å
177	V	83.7	Confident	80.4	Confident	62 Å²	62	58 Å²	58	38%	0.376	30%	0.301	S	S	.	.	H	α-helix	trans	-65.3	-43.2	178	-178.8	0	0	0	0	109.7	T165 A174 K180 D181	T165-V177 HydrophobicContact CG2-CG1 4.3Å; A174-V177 HydrophobicContact CB-CG2 4.34Å; A174-V177 PolarHBondContact O-N 2.89Å; V177-K180 PolarHBondContact O-N 3.23Å; V177-D181 PolarHBondContact O-N 3.47Å; V177-D181 VanDerWaalsContact O-N 3.15Å
178	L	84.1	Confident	80.7	Confident	1 Å²	1	61 Å²	61	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-42	176.3	-172.3	63.4	0	0	0	111.6	I33 A36 V37 I40 W166 V173 A174 E176 K180 D181 V182	I33-L178 HydrophobicContact CG2-CD1 4.27Å; I33-L178 HydrophobicContact CG2-CD2 4.43Å; A36-L178 HydrophobicContact CB-CD2 3.56Å; V37-L178 HydrophobicContact CG2-CD1 3.78Å; V37-L178 HydrophobicContact CG2-CD2 3.85Å; V37-L178 HydrophobicContact CG2-CG 4Å; I40-L178 HydrophobicContact CD1-CB 4.1Å; I40-L178 HydrophobicContact CD1-CD2 3.92Å; I40-L178 HydrophobicContact CD1-CG 3.94Å; W166-L178 HydrophobicContact CD2-CD1 4.04Å; W166-L178 HydrophobicContact CG-CD1 3.88Å; V173-L178 HydrophobicContact CG1-CD2 4.05Å; A174-L178 PolarHBondContact O-N 3.35Å; E176-L178 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 3.4Å; L178-D181 PolarHBondContact O-N 2.86Å; L178-V182 HydrophobicContact CD1-CG2 4.4Å; L178-V182 HydrophobicContact CG-CG2 4.34Å; L178-V182 WeakPolarHBondContact O-CB 3.47Å; L178-V182 VanDerWaalsContact O-CG2 3.23Å; L178-V182 WeakPolarHBondContact O-CG2 3.36Å; L178-V182 PolarHBondContact O-N 2.97Å
179	S	84.7	Confident	80.9	Confident	14 Å²	14	57.8 Å²	57.8	10%	0.098	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-43.2	178.2	-179.4	0	0	0	0	111.7	T175 E176 D181 V182 K183	T175-S179 WeakPolarHBondContact O-CB 3.38Å; T175-S179 PolarHBondContact O-N 2.89Å; E176-S179 PolarHBondContact O-N 2.83Å; S179-D181 VanDerWaalsContact C-N 3.35Å; S179-D181 PolarHBondContact O-N 2.89Å; S179-V182 PolarHBondContact O-N 2.88Å; S179-K183 WeakPolarHBondContact O-CB 3.38Å; S179-K183 VanDerWaalsContact O-CG 3.25Å; S179-K183 WeakPolarHBondContact O-CG 3.33Å; S179-K183 PolarHBondContact O-N 2.67Å
180	K	87	Confident	81.2	Confident	160 Å²	160	50.9 Å²	50.9	70%	0.696	27%	0.265	S	S	*	.	H	α-helix	trans	-60.8	-43.5	174.9	-173.8	178.7	179.1	179.5	0	112.1	E176 V177 L178 S184	E176-K180 PolarHBondContact O-N 3.15Å; V177-K180 PolarHBondContact O-N 3.23Å; L178-K180 PolarHBondContact O-N 3.4Å; K180-S184 WeakPolarHBondContact O-CB 3.44Å; K180-S184 PolarHBondContact O-N 3.06Å
181	D	85.2	Confident	81.4	Confident	27 Å²	27	49.1 Å²	49.1	14%	0.144	27%	0.266	C	S	.	.	H	α-helix	trans	-68.3	-42.9	178.7	-76.6	-25.6	0	0	0	112.3	K161 W166 V177 L178 S179 K183 S184 L185	K161-D181 IonicContact NZ-OD1 2.69Å; K161-D181 PolarHBondContact NZ-OD1 3.1Å; K161-D181 IonicContact NZ-OD2 2.73Å; K161-D181 PolarHBondContact NZ-OD2 3.49Å; W166-D181 PolarHBondContact NE1-OD2 3.21Å; V177-D181 PolarHBondContact O-N 3.47Å; V177-D181 VanDerWaalsContact O-N 3.15Å; L178-D181 PolarHBondContact O-N 2.86Å; S179-D181 VanDerWaalsContact C-N 3.35Å; S179-D181 PolarHBondContact O-N 2.89Å; D181-K183 VanDerWaalsContact C-N 3.33Å; D181-K183 PolarHBondContact O-N 3.26Å; D181-S184 PolarHBondContact O-N 2.73Å; D181-L185 WeakPolarHBondContact O-CB 3.19Å; D181-L185 PolarHBondContact O-N 2.88Å
182	V	85.4	Confident	81.4	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.012	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-39.6	176.9	172.6	0	0	0	0	110.8	V37 I40 F45 L144 L178 S179 L185 Y186	V37-V182 HydrophobicContact CB-CG2 4.47Å; V37-V182 HydrophobicContact CG1-CG2 3.95Å; V37-V182 HydrophobicContact CG2-CG2 4.03Å; I40-V182 HydrophobicContact CG2-CB 4.17Å; I40-V182 HydrophobicContact CG2-CG1 4.05Å; F45-V182 HydrophobicContact CE2-CG1 4.2Å; L144-V182 HydrophobicContact CD2-CG2 4.2Å; L178-V182 HydrophobicContact CD1-CG2 4.4Å; L178-V182 HydrophobicContact CG-CG2 4.34Å; L178-V182 WeakPolarHBondContact O-CB 3.47Å; L178-V182 VanDerWaalsContact O-CG2 3.23Å; L178-V182 WeakPolarHBondContact O-CG2 3.36Å; L178-V182 PolarHBondContact O-N 2.97Å; S179-V182 PolarHBondContact O-N 2.88Å; V182-L185 PolarHBondContact O-N 2.85Å; V182-Y186 WeakPolarHBondContact O-CB 3.41Å; V182-Y186 PolarHBondContact O-N 3.3Å
183	K	85.8	Confident	80.5	Confident	84 Å²	84	56.7 Å²	56.7	37%	0.365	30%	0.298	S	S	.	.	H	α-helix	trans	-62.5	-48.8	173.7	-75	173.4	-176.7	-179.3	0	112.1	N44 F45 S179 D181 L185 Y186 D187	N44-K183 WeakPolarHBondContact OD1-CE 3.41Å; N44-K183 PolarHBondContact OD1-NZ 3.32Å; F45-K183 HydrophobicContact CZ-CG 4.09Å; S179-K183 WeakPolarHBondContact O-CB 3.38Å; S179-K183 VanDerWaalsContact O-CG 3.25Å; S179-K183 WeakPolarHBondContact O-CG 3.33Å; S179-K183 PolarHBondContact O-N 2.67Å; D181-K183 VanDerWaalsContact C-N 3.33Å; D181-K183 PolarHBondContact O-N 3.26Å; K183-L185 VanDerWaalsContact C-N 3.27Å; K183-L185 PolarHBondContact O-N 3.49Å; K183-Y186 WeakPolarHBondContact O-CB 3.39Å; K183-Y186 PolarHBondContact O-N 2.86Å; K183-D187 WeakPolarHBondContact O-CB 3.4Å; K183-D187 VanDerWaalsContact O-CG 3.28Å; K183-D187 PolarHBondContact O-N 3.39Å
184	S	85.9	Confident	79	Confident	60 Å²	60	61.8 Å²	61.8	42%	0.42	32%	0.324	S	S	.	.	H	α-helix	trans	-57.2	-42.3	175	-178.4	0	0	0	0	111.9	K180 D181 D187 M188	K180-S184 WeakPolarHBondContact O-CB 3.44Å; K180-S184 PolarHBondContact O-N 3.06Å; D181-S184 PolarHBondContact O-N 2.73Å; S184-D187 PolarHBondContact O-N 2.95Å; S184-M188 WeakPolarHBondContact O-CG 3.49Å; S184-M188 PolarHBondContact O-N 3.4Å
185	L	84.8	Confident	76.8	Confident	3 Å²	3	71.5 Å²	71.5	2%	0.016	37%	0.372	C	S	.	.	H	α-helix	trans	-65.9	-41.3	178.2	-167.3	64	0	0	0	112.3	L144 V146 V157 V159 D181 V182 K183 M188 A189	L144-L185 HydrophobicContact CB-CD2 4.45Å; L144-L185 HydrophobicContact CD2-CD2 3.72Å; L144-L185 HydrophobicContact CG-CD2 3.88Å; V146-L185 HydrophobicContact CB-CD2 4.3Å; V146-L185 HydrophobicContact CB-CG 4.34Å; V146-L185 HydrophobicContact CG2-CD2 3.4Å; V146-L185 VanDerWaalsContact CG2-CD2 3.4Å; V146-L185 HydrophobicContact CG2-CG 3.87Å; V157-L185 HydrophobicContact CB-CD1 3.99Å; V157-L185 HydrophobicContact CG1-CD1 3.59Å; V159-L185 HydrophobicContact CB-CD1 4.12Å; V159-L185 HydrophobicContact CG1-CD1 4.1Å; V159-L185 HydrophobicContact CG1-CD2 3.79Å; D181-L185 WeakPolarHBondContact O-CB 3.19Å; D181-L185 PolarHBondContact O-N 2.88Å; V182-L185 PolarHBondContact O-N 2.85Å; K183-L185 VanDerWaalsContact C-N 3.27Å; K183-L185 PolarHBondContact O-N 3.49Å; L185-M188 HydrophobicContact CD1-CE 3.95Å; L185-A189 WeakPolarHBondContact O-CB 3.45Å; L185-A189 PolarHBondContact O-N 3.06Å
186	Y	82	Confident	76.8	Confident	32 Å²	32	73.6 Å²	73.6	13%	0.125	38%	0.381	C	S	.	.	H	α-helix	trans	-62.9	-47.7	174.1	-177.7	-95.1	0	0	0	111.3	F45 W129 V182 K183 M188 A189 V190	F45-Y186 AromaticContact CD1-CD1 3.7Å; F45-Y186 HydrophobicContact CD1-CD1 3.7Å; F45-Y186 HydrophobicContact CD1-CD2 4.05Å; F45-Y186 AromaticContact CD1-CE1 3.54Å; F45-Y186 HydrophobicContact CD1-CE1 3.54Å; F45-Y186 AromaticContact CD1-CE2 3.93Å; F45-Y186 HydrophobicContact CD1-CE2 3.93Å; F45-Y186 AromaticContact CD1-CG 3.93Å; F45-Y186 HydrophobicContact CD1-CG 3.93Å; F45-Y186 AromaticContact CD1-CZ 3.67Å; F45-Y186 HydrophobicContact CD2-CD2 4.28Å; F45-Y186 AromaticContact CE1-CD1 3.14Å; F45-Y186 HydrophobicContact CE1-CD1 3.14Å; F45-Y186 AromaticContact CE1-CD2 3.95Å; F45-Y186 HydrophobicContact CE1-CD2 3.95Å; F45-Y186 AromaticContact CE1-CE1 3.48Å; F45-Y186 HydrophobicContact CE1-CE1 3.48Å; F45-Y186 VanDerWaalsContact CE1-CE1 3.48Å; F45-Y186 HydrophobicContact CE1-CE2 4.25Å; F45-Y186 AromaticContact CE1-CG 3.38Å; F45-Y186 HydrophobicContact CE1-CG 3.38Å; F45-Y186 HydrophobicContact CE2-CD2 4.18Å; F45-Y186 HydrophobicContact CE2-CG 4.04Å; F45-Y186 HydrophobicContact CG-CD2 4.22Å; F45-Y186 HydrophobicContact CG-CE2 4.12Å; F45-Y186 HydrophobicContact CG-CG 4.47Å; F45-Y186 VanDerWaalsContact CZ-CB 3.47Å; F45-Y186 AromaticContact CZ-CD1 3.69Å; F45-Y186 HydrophobicContact CZ-CD1 3.69Å; F45-Y186 HydrophobicContact CZ-CD2 4.01Å; F45-Y186 HydrophobicContact CZ-CE1 4.39Å; F45-Y186 AromaticContact CZ-CG 3.44Å; F45-Y186 HydrophobicContact CZ-CG 3.44Å; F45-Y186 VanDerWaalsContact CZ-CG 3.44Å; W129-Y186 HydrophobicContact CD2-CE2 4.35Å; W129-Y186 AromaticContact CE2-CE2 3.85Å; W129-Y186 HydrophobicContact CE3-CD2 4.44Å; W129-Y186 HydrophobicContact CE3-CE2 4.39Å; W129-Y186 AromaticContact CH2-CD2 3.65Å; W129-Y186 HydrophobicContact CH2-CD2 3.65Å; W129-Y186 AromaticContact CH2-CE2 3.4Å; W129-Y186 HydrophobicContact CH2-CE2 3.4Å; W129-Y186 VanDerWaalsContact CH2-CE2 3.4Å; W129-Y186 HydrophobicContact CH2-CG 4.49Å; W129-Y186 HydrophobicContact CZ2-CD2 4.11Å; W129-Y186 AromaticContact CZ2-CE2 3.37Å; W129-Y186 HydrophobicContact CZ2-CE2 3.37Å; W129-Y186 AromaticContact CZ2-CZ 3.87Å; W129-Y186 AromaticContact CZ3-CD2 3.85Å; W129-Y186 HydrophobicContact CZ3-CD2 3.85Å; W129-Y186 AromaticContact CZ3-CE2 3.95Å; W129-Y186 HydrophobicContact CZ3-CE2 3.95Å; V182-Y186 WeakPolarHBondContact O-CB 3.41Å; V182-Y186 PolarHBondContact O-N 3.3Å; K183-Y186 WeakPolarHBondContact O-CB 3.39Å; K183-Y186 PolarHBondContact O-N 2.86Å; Y186-M188 VanDerWaalsContact C-N 3.32Å; Y186-M188 PolarHBondContact O-N 2.84Å; Y186-A189 CarbonylContact O-C 3.57Å; Y186-A189 PolarHBondContact O-N 3.5Å; Y186-V190 HydrophobicContact CD1-CG2 3.9Å; Y186-V190 HydrophobicContact CE1-CG2 3.52Å; Y186-V190 HydrophobicContact CE2-CG2 4.26Å; Y186-V190 HydrophobicContact CG-CG2 4.44Å; Y186-V190 WeakPolarHBondContact O-CG2 3.49Å; Y186-V190 PolarHBondContact O-N 3.33Å
187	D	83.7	Confident	76.5	Confident	97 Å²	97	69.4 Å²	69.4	52%	0.519	36%	0.364	S	S	.	.	H	α-helix	trans	-60.4	-42.2	178.8	-70	-20.9	0	0	0	111.1	K183 S184 A189 V190 A191	K183-D187 WeakPolarHBondContact O-CB 3.4Å; K183-D187 VanDerWaalsContact O-CG 3.28Å; K183-D187 PolarHBondContact O-N 3.39Å; S184-D187 PolarHBondContact O-N 2.95Å; D187-A189 VanDerWaalsContact C-N 3.35Å; D187-A189 PolarHBondContact O-N 3.46Å; D187-V190 PolarHBondContact O-N 3.04Å; D187-A191 WeakPolarHBondContact O-CB 3.34Å; D187-A191 PolarHBondContact O-N 3.33Å
188	M	83.8	Confident	76.1	Confident	85 Å²	85	69.8 Å²	69.8	42%	0.419	36%	0.363	S	S	.	.	H	α-helix	trans	-60.9	-42.4	173	-74.1	-172.4	-70.6	0	0	112.2	V157 S184 L185 Y186 V190 K192	V157-M188 HydrophobicContact CG1-CB 4.03Å; V157-M188 HydrophobicContact CG1-CE 4.1Å; V157-M188 HydrophobicContact CG1-SD 4.34Å; V157-M188 HydrophobicContact CG2-CB 4.42Å; S184-M188 WeakPolarHBondContact O-CG 3.49Å; S184-M188 PolarHBondContact O-N 3.4Å; L185-M188 HydrophobicContact CD1-CE 3.95Å; Y186-M188 VanDerWaalsContact C-N 3.32Å; Y186-M188 PolarHBondContact O-N 2.84Å; M188-V190 VanDerWaalsContact C-N 3.34Å; M188-V190 PolarHBondContact O-N 2.69Å; M188-K192 VanDerWaalsContact O-CB 3.3Å; M188-K192 WeakPolarHBondContact O-CB 3.39Å; M188-K192 PolarHBondContact O-N 2.89Å
189	A	80	Confident	75.6	Confident	0 Å²	0	73.9 Å²	73.9	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-70.3	-28.5	179	0	0	0	0	0	113.2	W129 R148 V157 L185 Y186 D187	W129-A189 HydrophobicContact CH2-CB 3.98Å; W129-A189 HydrophobicContact CZ3-CB 3.6Å; R148-A189 WeakPolarHBondContact CD-O 3.17Å; V157-A189 HydrophobicContact CG2-CB 3.95Å; L185-A189 WeakPolarHBondContact O-CB 3.45Å; L185-A189 PolarHBondContact O-N 3.06Å; Y186-A189 CarbonylContact O-C 3.57Å; Y186-A189 PolarHBondContact O-N 3.5Å; D187-A189 VanDerWaalsContact C-N 3.35Å; D187-A189 PolarHBondContact O-N 3.46Å
190	V	77.1	Confident	75	Confident	37 Å²	37	77.6 Å²	77.6	22%	0.224	40%	0.402	C	S	.	.	H	α-helix	trans	-80.6	-42	173	177.7	0	0	0	0	111.8	W129 Y186 D187 M188 K192 K193	W129-V190 HydrophobicContact CH2-CG2 3.66Å; W129-V190 HydrophobicContact CZ2-CG2 3.95Å; Y186-V190 HydrophobicContact CD1-CG2 3.9Å; Y186-V190 HydrophobicContact CE1-CG2 3.52Å; Y186-V190 HydrophobicContact CE2-CG2 4.26Å; Y186-V190 HydrophobicContact CG-CG2 4.44Å; Y186-V190 WeakPolarHBondContact O-CG2 3.49Å; Y186-V190 PolarHBondContact O-N 3.33Å; D187-V190 PolarHBondContact O-N 3.04Å; M188-V190 VanDerWaalsContact C-N 3.34Å; M188-V190 PolarHBondContact O-N 2.69Å; V190-K192 VanDerWaalsContact C-N 3.32Å; V190-K192 PolarHBondContact O-N 2.91Å; V190-K193 WeakPolarHBondContact O-CD 3.3Å; V190-K193 WeakPolarHBondContact O-CG 3.1Å; V190-K193 PolarHBondContact O-N 2.74Å
191	A	75.8	Confident	74.2	Confident	80 Å²	80	72.1 Å²	72.1	66%	0.661	38%	0.383	S	S	*	.	H	α-helix	trans	-68.7	-31.8	-176.9	0	0	0	0	0	112	D187 K193	D187-A191 WeakPolarHBondContact O-CB 3.34Å; D187-A191 PolarHBondContact O-N 3.33Å; A191-K193 PolarHBondContact O-N 3.07Å
192	K	67.1	Low	73.5	Confident	118 Å²	118	75.4 Å²	75.4	51%	0.513	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	17	175	-154.1	173.8	173.5	-175.7	0	113.9	Q155 M188 V190 L194	Q155-K192 VanDerWaalsContact OE1-CE 3.28Å; M188-K192 VanDerWaalsContact O-CB 3.3Å; M188-K192 WeakPolarHBondContact O-CB 3.39Å; M188-K192 PolarHBondContact O-N 2.89Å; V190-K192 VanDerWaalsContact C-N 3.32Å; V190-K192 PolarHBondContact O-N 2.91Å; K192-L194 PolarHBondContact O-N 2.76Å
193	K	56.1	Low	72.5	Confident	108 Å²	108	81 Å²	81	47%	0.47	43%	0.43	S	S	.	.			trans	-58	99.8	164.6	-85	172.4	-172.3	171.7	0	108.4	V190 A191	V190-K193 WeakPolarHBondContact O-CD 3.3Å; V190-K193 WeakPolarHBondContact O-CG 3.1Å; V190-K193 PolarHBondContact O-N 2.74Å; A191-K193 PolarHBondContact O-N 3.07Å
194	L	45.2	Very low	71.4	Confident	115 Å²	115	80.8 Å²	80.8	60%	0.602	44%	0.435	S	S	*	.			trans	43.6	103.4	158.6	-119.8	83	0	0	0	116.2	D153 K192	D153-L194 HydrophobicContact CB-CD1 3.83Å; D153-L194 VanDerWaalsContact CG-CD1 3.49Å; K192-L194 PolarHBondContact O-N 2.76Å
195	N	35.6	Very low	70.1	Confident	234 Å²	234	82.6 Å²	82.6	100%	1.251	44%	0.436	S	S	*	.				-91.2	0	123.6	-89.7	-1.8	0	0	0	107.1

Retrieved 195 of 195 residues in 87.5 ms (Link to these results)

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